SCHEMBL8203469

SCHEMBL8203469

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.43
FAAH O00519 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL13054036 1.00 OPRL1 (0.43) OPRL1FAAHTDP1POLB
SCHEMBL7562309 1.00 OPRL1 (0.43) OPRL1FAAHTDP1POLB
SCHEMBL21530786 0.99 FAAH (0.43) OPRL1FAAHTDP1POLB
SCHEMBL20242350 0.99 FAAH (0.43) OPRL1FAAHTDP1POLB
SCHEMBL20241591 0.94 FAAH (0.39) OPRL1FAAHTDP1
SCHEMBL21528393 0.94 FAAH (0.39) OPRL1FAAHTDP1
SCHEMBL21528433 0.91 HDAC8 (0.41) OPRL1FAAH
SCHEMBL20241410 0.91 HDAC8 (0.41) OPRL1FAAH
SCHEMBL20242089 0.90 FAAH (0.41) FAAHTDP1
SCHEMBL20241402 0.90 FAAH (0.41) FAAHTDP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551192-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-10-16 EP claimed
WO-2018106519-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 WO claimed
US-10696639-B2 Heterocyclic compounds as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2020-06-30 US disclosed
US-10696639-B2 Heterocyclic compounds as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2020-06-30 US disclosed
US-20190337902-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
US-20190337902-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
EP-3551192-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-10-16 EP disclosed
WO-2018106519-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 WO disclosed
WO-2018106519-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 WO disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 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 (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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 OPRL1 816/4885FAAH 3473/4885TDP1 534/4885
US-10696639-B2 Heterocyclic compounds as HIV protease inhibitors PREP, SERPINB1, PEPD OPRL1 3661/4885FAAH 629/4885TDP1 1834/4885
US-20190337902-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS PREP, SERPINB1, PEPD OPRL1 3661/4885FAAH 629/4885TDP1 1834/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D OPRL1 2850/4885FAAH 1334/4885TDP1 168/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 OPRL1 1670/4885FAAH 3507/4885TDP1 367/4885

“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.