SCHEMBL10060258

SCHEMBL10060258

CC(C)[C@@H]1C(=O)N2[C@H](CC[C@H]2C(C)C)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.36
OPRK1 P41145 5/20 0.36
HTR2A P28223 1/20 0.36
OPRL1 P41146 4/20 0.34
XIAP P98170 4/20 0.33
BIRC3 Q13489 4/20 0.33
BIRC2 Q13490 4/20 0.33
SIGMAR1 Q99720 2/20 0.33
SRD5A1 P18405 2/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL10079284 0.86 OPRM1 (0.42) OPRM1OPRK1HTR2AOPRL1SIGMAR1
SCHEMBL10060283 0.76 OPRM1 (0.35) OPRM1OPRK1HTR2A
SCHEMBL10079646 0.76 OPRM1 (0.35) OPRM1OPRK1HTR2A
SCHEMBL10060259 0.73 XIAP (0.39) OPRM1OPRK1XIAPBIRC3BIRC2
SCHEMBL14599717 0.71 HTR2A (0.41) OPRM1OPRK1HTR2AXIAPSRD5A1
SCHEMBL22623685 0.69 HTR2A (0.42) OPRM1OPRK1HTR2AOPRL1XIAP
SCHEMBL15468333 0.69 HTR2A (0.40) OPRM1OPRK1HTR2AOPRL1SRD5A1
SCHEMBL10079282 0.69 XIAP (0.36) OPRM1OPRK1OPRL1XIAPBIRC3
SCHEMBL19917242 0.68 AR (0.37) OPRM1OPRK1HTR2AOPRL1
SCHEMBL4737427 0.67 XIAP (0.48) HTR2AXIAPBIRC3BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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 (2 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-20120195915-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 OPRM1 4489/4885OPRK1 4094/4885HTR2A 3867/4885
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 OPRM1 4489/4885OPRK1 4094/4885HTR2A 3867/4885

“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.