SCHEMBL73596

SCHEMBL73596

O=C1[N]CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
NOS3 P29474 2/20 0.48
NOS2 P35228 1/20 0.48
MAOA P21397 4/20 0.47
MAOB P27338 2/20 0.47
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PDPK1 O15530 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
BCHE P06276 1/20 0.39
CYP19A1 P11511 1/20 0.39
TSHR P16473 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
SCHEMBL519093 0.88 MAOA (0.53) CES1NOS3NOS2MAOAMAOB
SCHEMBL61808 0.77 MAOA (0.44) CES1MAOAMAOBCYP2A6KDM4E
SCHEMBL5253619 0.76 TYRO3 (0.49) MAOAMAOBKDM4EALDH1A1PARP10
SCHEMBL9208911 0.74 NOS3 (0.48) CES1NOS3NOS2MAOAMAOB
SCHEMBL5254315 0.72 PARP10 (0.50) MAOAMAOBKDM4EALDH1A1PARP1
SCHEMBL207528 0.71 CES1 (0.48) CES1NOS3NOS2MAOAMAOB
SCHEMBL5105222 0.70 MAOB (0.63) CES1MAOAMAOBCYP2A6PDPK1
SCHEMBL11267501 0.70 NOS3 (0.59) CES1NOS3NOS2MAOAMAOB
SCHEMBL519697 0.70 CYP2A6 (0.50) CES1NOS3NOS2MAOAMAOB
SCHEMBL44496 0.69 CES1 (0.90) CES1MAOAMAOBCYP2A6ALDH1A1

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 1449 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US claimed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US claimed
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP claimed
CN-108349949-B N-substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2020-11-17 CN claimed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 US claimed
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP claimed
EP-3377483-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2018-09-26 EP claimed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US claimed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP claimed
EP-3227300-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-10-11 EP claimed
WO-1999006410-A1 HYDROXAMIC ACID SUBSTITUTED FUSED HETEROCYCLIC METALLOPROTEINASE INHIBITORS AMGEN INC. (US) 1999-02-11 WO claimed
US-5801181-A Amino alcohol substituted cyclic compounds CELL THERAPEUTICS, INC. (US) 1998-09-01 US claimed
EP-0530537-B1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-08 EP claimed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP claimed
US-5403843-A Pyrrolopyrimidinyalglutaminate derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-04 US claimed
EP-0555264-A1 NOVEL COMPOUNDS BEECHAM GROUP plc (GB) 1993-08-18 EP claimed
EP-0530537-A1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-10 EP claimed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP claimed
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 US claimed
WO-1992007850-A1 NOVEL COMPOUNDS BEECHAM GROUP PLC (GB) 1992-05-14 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 (3 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-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CES1 1521/4885NOS3 339/4885NOS2 251/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CES1 1521/4885NOS3 339/4885NOS2 251/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CES1 1521/4885NOS3 339/4885NOS2 251/4885

“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.