SCHEMBL14067129

SCHEMBL14067129

CC(=O)N1Cc2ccccc2CC1CO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.54
OPRL1 P41146 1/20 0.54
KCNH2 Q12809 1/20 0.54
NOTUM Q6P988 2/20 0.49
BCL2 P10415 8/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B3 P37058 1/20 0.45
OPRD1 P41143 2/20 0.44
ACE P12821 3/20 0.44
TACR1 P25103 1/20 0.44
PREP P48147 1/20 0.43
BAD Q92934 2/20 0.43
OPRK1 P41145 1/20 0.42

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
SCHEMBL15675696 1.00 OPRM1 (0.54) OPRM1OPRL1KCNH2NOTUMBCL2
SCHEMBL20738536 1.00 OPRM1 (0.54) OPRM1OPRL1KCNH2NOTUMBCL2
SCHEMBL20738634 0.88 OPRM1 (0.52) OPRM1OPRL1KCNH2NOTUMBCL2
SCHEMBL20738516 0.86 MTNR1B (0.49) OPRM1OPRL1KCNH2NOTUMBCL2
SCHEMBL17559495 0.85 BCL2 (0.47) BCL2TDP1ACEBAD
SCHEMBL4595358 0.85 BCL2 (0.47) BCL2TDP1ACEBAD
SCHEMBL17559498 0.85 BCL2 (0.47) BCL2TDP1ACEBAD
SCHEMBL24925815 0.84 BCL2 (0.44) OPRM1OPRL1KCNH2BCL2ACE
SCHEMBL8274419 0.83 BCL2 (0.43) OPRM1OPRL1KCNH2BCL2OPRD1
SCHEMBL15704250 0.83 OPRM1 (0.56) OPRM1OPRL1KCNH2NOTUMBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US 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
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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 3672/4885KCNH2 1587/4885

“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.