SCHEMBL8302417

SCHEMBL8302417

Cc1ccc(CC2CCN(C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
ACHE P22303 1/20 0.49
FAAH O00519 1/20 0.48
CCR3 P51677 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45

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
SCHEMBL12309441 0.91 OPRM1 (0.47) OPRM1FAAHCARM1PRMT6
SCHEMBL13185171 0.85 HTR2A (0.49) ACHECCR3CARM1PRMT6
SCHEMBL21443558 0.83 CCR3 (0.45) ACHECCR3CARM1PRMT6
SCHEMBL8302415 0.83 OPRM1 (0.51) OPRM1
SCHEMBL4040585 0.83 LMNA (0.53) CCR3KDM4ELMNAMAPTCARM1
SCHEMBL2056158 0.83 ALDH1A1 (0.61) CCR3
SCHEMBL578726 0.83 SLC6A2 (0.52) ACHECCR3CARM1PRMT6
SCHEMBL327856 0.82 CCR3 (0.66) CCR3CARM1PRMT6
SCHEMBL12830609 0.81 MAOB (0.63) ACHECARM1PRMT6
Hydrochloric Acid SCHEMBL7974948 0.81 OPRM1 (0.49) OPRM1FAAHKDM4ELMNAMAPT

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
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2023-07-06 US disclosed
WO-2022145989-A1 PYRIMIDODIAZEPINE DERIVATIVE AS SELECTIVE PLK1 INHIBITOR (주) 업테라 2022-07-07 WO disclosed
EP-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed
WO-2020210377-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM TSUCHIMORI NOBORU 2010-08-26 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
EP-1525200-B1 2-(3-AMINOARYL)AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2007-10-10 EP disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 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 (7 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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 OPRM1 790/4885ACHE 210/4885FAAH 1433/4885
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS SLC6A2, SLC6A3, SLC6A4 OPRM1 935/4885ACHE 26/4885FAAH 195/4885
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD OPRM1 3298/4885ACHE 1600/4885FAAH 1463/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD OPRM1 3298/4885ACHE 1600/4885FAAH 1463/4885
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 OPRM1 137/4885ACHE 3448/4885FAAH 1223/4885
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM CCR1, CCR3, CCR2 OPRM1 1569/4885ACHE 3400/4885FAAH 1976/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 OPRM1 790/4885ACHE 210/4885FAAH 1433/4885

“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.