SCHEMBL8306057

SCHEMBL8306057

CNc1cccc2c1OCCO2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.45
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
TYK2 P29597 1/20 0.42
PDE4D Q08499 1/20 0.42
ADRB1 P08588 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
LMNA P02545 2/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ABCB1 P08183 1/20 0.39
FLT1 P17948 1/20 0.39

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
Hydrochloric Acid SCHEMBL2461132 0.98 MTNR1A (0.44) MTNR1AITGB2ICAM1ITGALTYK2
Hydrochloric Acid SCHEMBL2462172 0.91 KDM1A (0.39) MTNR1AITGB2ICAM1ITGALTYK2
SCHEMBL507057 0.84 TTBK1 (0.47) MTNR1AKDM4ELMNAABCB1FLT1
SCHEMBL21571848 0.80 ITGB2 (0.44) MTNR1AITGB2ICAM1ITGALADRB1
SCHEMBL2504920 0.80 ITGB2 (0.44) MTNR1AITGB2ICAM1ITGALADRB1
SCHEMBL21571866 0.79 MTNR1A (0.42) MTNR1AITGB2ICAM1ITGALADRB1
SCHEMBL15650620 0.79 MTNR1A (0.45) MTNR1AITGB2ICAM1ITGAL
SCHEMBL2961606 0.77 MTNR1A (0.57) MTNR1AKDM4EMRGPRX1ABCB1FLT1
SCHEMBL22421809 0.75 MTNR1A (0.42) MTNR1AMRGPRX1
SCHEMBL1150917 0.74 PARP1 (0.47) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
WO-2021213317-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 微境生物医药科技(上海)有限公司 (CN) 2021-10-28 WO disclosed
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
EP-3275867-B1 PYRIDO-FUSED BICYCLIC COMPOUNDS AS URAT1 INHIBITORS FOR TREATING HYPERURICEMIA SHANGHAI YINGLI PHARM CO LTD (CN) 2020-06-10 EP disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
CN-101400336-A Novel flavoring agents, taste modifiers, tastants, taste enhancers, umami or sweeteners and/or enhancers and uses thereof SENOMYX INC (US) 2009-04-01 CN disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
CN-101203142-A Aromatic amides and ureas and their uses as sweet and/or delicate flavor modifiers, flavouring agents and taste enhancers SENOMYX INC (US) 2008-06-18 CN disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO 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 (5 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-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same PIN1, DUSP15, FKBP1A MTNR1A 2451/4885ITGB2 4759/4885ICAM1 2108/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE MTNR1A 2000/4885ITGB2 4849/4885ICAM1 2250/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MTNR1A 1694/4885ITGB2 4498/4885ICAM1 3437/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 MTNR1A 2082/4885ITGB2 3564/4885ICAM1 3848/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MTNR1A 1694/4885ITGB2 4498/4885ICAM1 3437/4885

“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.