SCHEMBL2292415

SCHEMBL2292415

Cn1c(=O)c2c(ncn2CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
HTR6 P50406 1/20 0.58
TSHR P16473 2/20 0.52
RXFP1 Q9HBX9 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ADORA2B P29275 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 3/20 0.48
CHRM1 P11229 2/20 0.46
DRD2 P14416 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
LMNA P02545 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31291099 1.00 HTR7 (0.58) HTR7HTR6TSHRRXFP1L3MBTL1
Hydrochloric Acid SCHEMBL2290990 0.99 HTR7 (0.60) HTR7HTR6TSHRRXFP1L3MBTL1
SCHEMBL4473899 0.88 PDE1A (0.54) HTR7HTR6TSHRRXFP1L3MBTL1
SCHEMBL458792 0.85 HTR7 (0.63) HTR7HTR6TSHRRXFP1L3MBTL1
SCHEMBL29375465 0.85 HTR7 (0.63) HTR7HTR6TSHRRXFP1L3MBTL1
SCHEMBL2626922 0.85 HTR7 (0.63) HTR7HTR6TSHRRXFP1L3MBTL1
SCHEMBL4401766 0.84 HTR7 (0.62) HTR7HTR6TSHRRXFP1L3MBTL1
Ammonia Solution, Strong SCHEMBL12804036 0.84 HTR7 (0.62) HTR7HTR6TSHRRXFP1L3MBTL1
Hydrochloric Acid SCHEMBL2290149 0.84 HTR7 (0.65) HTR7HTR6TSHRRXFP1L3MBTL1
SCHEMBL4399057 0.84 TSHR (0.72) HTR7HTR6TSHRRXFP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105012306-A SAA derivative compounds in hypoxic state are capable of reducing eNOS and inhibiting oxidative stress induced diseases JIANZHI BIOLOG TECHNOLOGY CO LTD 2015-11-04 CN claimed
WO-2015161510-A1 SAA DERIVATIVE COMPOUND RESTORES ENOS AND INHIBITS OXIDATIVE STRESS-INDUCED DISEASES IN HYPOXIA JANSFAT BIOTECHNOLOGY CO., LTD. (CN) 2015-10-29 WO claimed
US-20150306107-A1 SAA Derivative Compound Restores eNOS And Inhibits Oxidative Stress-Induced A Diseases In Hypoxia JANSFAT BIOTECHNOLOGY CO., LTD. (TW) 2015-10-29 US claimed
US-20150174157-A1 INHALED NO DONOR PIPERAZINYL DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION BY REDUCING VEGF AND RESTORING eNOS IN HYPOXIC PULMONARY ARTERY KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-06-25 US claimed
US-20130202549-A1 USE OF DPAS AND CO-POLYMERS FOR HYPERLIPIDEMIA AND ATHEROSCLEROSIS ALONG WITH REDUCING FEEDING RATE AND ADIPOSE TISSUE WEIGHT OF OBESITY ANIMAL CHEN ING-JUN (TW) 2013-08-08 US claimed
US-20130095059-A1 INHALED NO DONOR KMUPS DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION VIA SUPPRESSED CYTOKINES, INOS AND INFLAMMATORY CELL COUNTS IN ASTHMA MODEL KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-04-18 US claimed
US-20190008870-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER JANSFAT BIOTECHNOLOGY CO LTD (TW) 2019-01-10 US disclosed
EP-3241552-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER Jansfat Biotechnology Co., Ltd. (TW) 2017-11-08 EP disclosed
US-20170312286-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER JANSFAT BIOTECHNOLOGY CO., LTD. (TW) 2017-11-02 US disclosed
EP-2992885-A2 METHOD FOR INHIBITING A LIVER DISEASE Jansfat Biotechnology Co., Ltd. (TW) 2016-03-09 EP disclosed
CN-105380949-A Composition for treating high fat food induced liver lipopexia JANSFAT BIOTECHNOLOGY CO LTD 2016-03-09 CN disclosed
US-20150359901-A1 PIPERAZINYL DERIVATIVE REDUCES HIGH-FAT DIET-INDUCED ACCUMULATION OF FAT IN THE LIVERS, THERAPEUTICALLY JANSFAT BIOTECHNOLOGY CO., LTD. (TW) 2015-12-17 US disclosed
US-20150359798-A1 PIPERAZINYL DERIVATIVE REDUCES HIGH-FAT DIET-INDUCED ACCUMULATION OF FAT IN THE LIVERS, THERAPEUTICALLY JANSFAT BIOTECHNOLOGY CO., LTD. (TW) 2015-12-17 US disclosed
US-20130202549-A1 USE OF DPAS AND CO-POLYMERS FOR HYPERLIPIDEMIA AND ATHEROSCLEROSIS ALONG WITH REDUCING FEEDING RATE AND ADIPOSE TISSUE WEIGHT OF OBESITY ANIMAL CHEN ING-JUN (TW) 2013-08-08 US disclosed
US-20130095059-A1 INHALED NO DONOR KMUPS DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION VIA SUPPRESSED CYTOKINES, INOS AND INFLAMMATORY CELL COUNTS IN ASTHMA MODEL KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-04-18 US disclosed
CN-102973566-A DPAs and high molecular polymer for hyperlipemia and reducing food intake amount and adipose tissue weight of obese animals CHEN YINGJUN 2013-03-20 CN disclosed
US-20110201618-A1 KMUPS INHIBITING PROLIFERATION AND OBLITERATION OF PULMONARY ARTERY KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-08-18 US disclosed
US-7550468-B2 Theophylline and 3-isobutyl-1 methylxanthine based N-7 substituted derivatives displaying inhibitory activities on PDE-5 phospodiesterase CHEN ING-JUN 2009-06-23 US disclosed
US-20080064705-A1 Theophylline-based nitophenylpiperazine derivatives for enhancing aortic smooth muscle relaxation KAOHSIUNG MEDICAL UNIVERSITY 2008-03-13 US disclosed
US-20050209242-A1 Theophylline and 3-isobutyl-1 methylxanthine based N-7 substituted derivatives displaying inhibitory activities on PDE-5 phospodiesterase CHEN ING-JUN 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130095059-A1 INHALED NO DONOR KMUPS DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION VIA SUPPRESSED CYTOKINES, INOS AND INFLAMMATORY CELL COUNTS IN ASTHMA MODEL NOS1, NOS3, NOS2 HTR7 1664/4885HTR6 1719/4885TSHR 2884/4885
US-20150306107-A1 SAA Derivative Compound Restores eNOS And Inhibits Oxidative Stress-Induced A Diseases In Hypoxia SAAL1, HMOX1, HIF1AN HTR7 3988/4885HTR6 1856/4885TSHR 4579/4885
US-20130202549-A1 USE OF DPAS AND CO-POLYMERS FOR HYPERLIPIDEMIA AND ATHEROSCLEROSIS ALONG WITH REDUCING FEEDING RATE AND ADIPOSE TISSUE WEIGHT OF OBESITY ANIMAL LIPC, LPL, PNLIP HTR7 169/4885HTR6 314/4885TSHR 3296/4885
US-20080064705-A1 Theophylline-based nitophenylpiperazine derivatives for enhancing aortic smooth muscle relaxation TNNT2, NOS2, NOS1 HTR7 357/4885HTR6 150/4885TSHR 1724/4885
US-20170312286-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER GYS2, PYGL, GYS1 HTR7 4054/4885HTR6 3295/4885TSHR 3964/4885
US-20110201618-A1 KMUPS INHIBITING PROLIFERATION AND OBLITERATION OF PULMONARY ARTERY MKI67, PTGIS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR7 3669/4885HTR6 3143/4885TSHR 3639/4885
US-20050209242-A1 Theophylline and 3-isobutyl-1 methylxanthine based N-7 substituted derivatives displaying inhibitory activities on PDE-5 phospodiesterase PDE3A, PDE5A, PDE3B HTR7 120/4885HTR6 510/4885TSHR 2099/4885
US-20150359798-A1 PIPERAZINYL DERIVATIVE REDUCES HIGH-FAT DIET-INDUCED ACCUMULATION OF FAT IN THE LIVERS, THERAPEUTICALLY FABP1, LIPC, PLIN5 HTR7 3093/4885HTR6 2850/4885TSHR 4732/4885
US-20150359901-A1 PIPERAZINYL DERIVATIVE REDUCES HIGH-FAT DIET-INDUCED ACCUMULATION OF FAT IN THE LIVERS, THERAPEUTICALLY FABP1, LIPC, PLIN5 HTR7 3093/4885HTR6 2850/4885TSHR 4732/4885
US-20190008870-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER GYS2, PYGL, GYS1 HTR7 4054/4885HTR6 3295/4885TSHR 3964/4885
US-20150174157-A1 INHALED NO DONOR PIPERAZINYL DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION BY REDUCING VEGF AND RESTORING eNOS IN HYPOXIC PULMONARY ARTERY NOS2, NOS3, NOS1 HTR7 3923/4885HTR6 4695/4885TSHR 4046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.