SCHEMBL458792

SCHEMBL458792

Cn1c(=O)c2c(ncn2CCN2CCN(c3ccccc3Cl)CC2)n(C)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.63
HTR6 P50406 1/20 0.63
TSHR P16473 2/20 0.56
ADORA2B P29275 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.54
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 1/20 0.51
UBE2N P61088 1/20 0.51
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
HTR1B P28222 1/20 0.51
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50

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
SCHEMBL29375465 1.00 HTR7 (0.63) HTR7HTR6TSHRADORA2BSMN1; SMN2
Hydrochloric Acid SCHEMBL2290149 0.99 HTR7 (0.65) HTR7HTR6TSHRADORA2BSMN1; SMN2
Ammonia Solution, Strong SCHEMBL12804036 0.99 HTR7 (0.62) HTR7HTR6TSHRADORA2BSMN1; SMN2
SCHEMBL11152654 0.94 HTR7 (0.73) HTR7HTR6TSHRADORA2BSMN1; SMN2
SCHEMBL11152582 0.93 HTR7 (0.74) HTR7HTR6TSHRADORA2BSMN1; SMN2
SCHEMBL684356 0.91 HTR7 (0.58) HTR7HTR6TSHRADORA2BSMN1; SMN2
SCHEMBL2626922 0.89 HTR7 (0.63) HTR7HTR6TSHRADORA2BSMN1; SMN2
Citric Acid SCHEMBL3729558 0.89 HTR7 (0.54) HTR7HTR6TSHRADORA2BSMN1; SMN2
SCHEMBL4401766 0.88 HTR7 (0.62) HTR7HTR6TSHRADORA2BSMN1; SMN2
SCHEMBL4399057 0.88 TSHR (0.72) HTR7HTR6TSHRADORA2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046528-A1 METHOD OF PREVENTING HAIR LOSS OR PROMOTING HAIR GROWTH BY USING PHOSPHODIESTERASE 3 INHIBITOR SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-02-14 US claimed
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
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
CN-104274465-A Use of DPA analogues for protecting physiological activity against dysfunction CHEN ZHAOLIANG 2015-01-14 CN claimed
US-8507506-B2 Theophylline derivative inhibits osteoporosis KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-08-13 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-20120184570-A1 Theophylline Derivative Inhibits Osteoporosis KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-07-19 US claimed
US-20110124655-A1 KMUP-1 CAPABLE OF TREATING HYPERTENSION KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-05-26 US claimed
US-20100317671-A1 XANTHINE-BASED CYCLIC GMP-ENHANCING RHO-KINASE INHIBITOR INHIBITS PHYSIOLOGICAL ACTIVITIES OF LUNG EPITHELIAL CELL LINE KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-12-16 US claimed
US-20100022552-A1 KMUP-1 CAPABLE OF TREATING HYPERTENSION KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-01-28 US claimed
US-20100016329-A1 XANTHINE-BASED CYCLIC GMP-ENHANCING RHO-KINASE INHIBITOR INHIBITS PHYSIOLOGICAL ACTIVITIES OF LUNG EPITHELIAL CELL LINE KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-01-21 US claimed
US-20090306093-A1 METHOD FOR TREATING PATIENT HAVING BENIGN PROSTATE HYPERPLASIA KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-12-10 US claimed
US-20090209560-A1 ANTI-INFLAMMATION ACTIVITY OF NEWLY SYNTHESIZED XANTHINE DERIVATIVES KMUP-1 AND KMUP-3 KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-08-20 US claimed
US-20080312249-A1 KMUP-1 CAPABLE OF TREATING HYPERTENSION KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-12-18 US claimed
US-20080081816-A1 ANTI-INFLAMMATION ACTIVITY OF NEWLY SYNTHESIZED XANTHINE DERIVATIVES KMUP-1 AND KMUP-3 KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-04-03 US claimed
US-20050209243-A1 Theophylline-based soluble guanylyl cyclase activators KMUP-1 analogues enhanced cyclic GMP and K+ channel activities on rabbit corpus cavernosum smooth muscle and intercavernous pressure activities Chen, Ing-Jun 2005-09-22 US claimed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US claimed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP claimed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-20100317671-A1 XANTHINE-BASED CYCLIC GMP-ENHANCING RHO-KINASE INHIBITOR INHIBITS PHYSIOLOGICAL ACTIVITIES OF LUNG EPITHELIAL CELL LINE RHOA, PRKG1, ROCK1 HTR7 4144/4885HTR6 4464/4885TSHR 4819/4885
US-20050209243-A1 Theophylline-based soluble guanylyl cyclase activators KMUP-1 analogues enhanced cyclic GMP and K+ channel activities on rabbit corpus cavernosum smooth muscle and intercavernous pressure activities PRKG1, PDE3A, GUCY1A1 HTR7 2129/4885HTR6 1843/4885TSHR 4357/4885
US-20120184570-A1 Theophylline Derivative Inhibits Osteoporosis THOP1, CCL5, TBXAS1 HTR7 888/4885HTR6 695/4885TSHR 581/4885
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.