SCHEMBL9129676

SCHEMBL9129676

c1ccc2c(c1)CNC(CN1CCCC1)C2

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.63
OPRL1 P41146 4/20 0.63
PNMT P11086 2/20 0.57
KCNH2 Q12809 3/20 0.55
LMNA P02545 1/20 0.45
METAP1 P53582 1/20 0.44

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
SCHEMBL10695429 1.00 OPRM1 (0.63) OPRM1OPRL1PNMTKCNH2LMNA
SCHEMBL10695431 1.00 OPRM1 (0.63) OPRM1OPRL1PNMTKCNH2LMNA
Hydrochloric Acid SCHEMBL25378396 0.98 OPRM1 (0.61) OPRM1OPRL1PNMTKCNH2LMNA
Hydrochloric Acid SCHEMBL31263899 0.98 OPRM1 (0.61) OPRM1OPRL1PNMTKCNH2LMNA
SCHEMBL17782500 0.98 OPRM1 (0.61) OPRM1OPRL1PNMTKCNH2LMNA
SCHEMBL30581918 0.98 OPRM1 (0.61) OPRM1OPRL1PNMTKCNH2LMNA
Hydrochloric Acid SCHEMBL31263958 0.97 OPRM1 (0.60) OPRM1OPRL1PNMTKCNH2LMNA
Hydrochloric Acid SCHEMBL25378009 0.97 OPRM1 (0.60) OPRM1OPRL1PNMTKCNH2LMNA
Hydrochloric Acid SCHEMBL31263826 0.97 OPRM1 (0.60) OPRM1OPRL1PNMTKCNH2LMNA
Hydrochloric Acid SCHEMBL25378709 0.97 OPRM1 (0.60) OPRM1OPRL1PNMTKCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
CN-103732589-B Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-30 CN disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP disclosed
US-4753952-A ANALGESICS DR. LO. ZAMBELETTI S.P.A. (IT) 1988-06-28 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 (1 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 OPRM1 4690/4885OPRL1 3672/4885PNMT 4542/4885

“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.