SCHEMBL10079284

SCHEMBL10079284

CC(C)[C@@H]1CC[C@@H]2Cc3ccccc3[C@H](C)C(=O)N21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.42
OPRK1 P41145 7/20 0.42
OPRL1 P41146 6/20 0.42
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
PRCP P42785 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
SRD5A1 P18405 2/20 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
SCHEMBL10060258 0.86 OPRM1 (0.36) OPRM1OPRK1OPRL1HTR2ASIGMAR1
SCHEMBL15468333 0.83 HTR2A (0.40) OPRM1OPRK1OPRL1HTR2AHTR2C
SCHEMBL10060259 0.73 XIAP (0.39) OPRM1OPRK1
SCHEMBL10079282 0.69 XIAP (0.36) OPRM1OPRK1OPRL1SIGMAR1
SCHEMBL12771389 0.68 PIK3CD (0.38) OPRM1OPRK1OPRL1
SCHEMBL12771380 0.68 PIK3CD (0.38) OPRM1OPRK1OPRL1
SCHEMBL14170111 0.68 BRD4 (0.38) OPRM1HTR2AHTR2CHTR2BPRCP
SCHEMBL4737427 0.67 XIAP (0.48) HTR2AHTR2CHTR2B
SCHEMBL10060256 0.67 PRCP (0.38) OPRM1HTR2AHTR2CHTR2BPRCP
SCHEMBL15468334 0.67 PRCP (0.38) OPRM1HTR2AHTR2CHTR2BPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 OPRM1 4489/4885OPRK1 4094/4885OPRL1 3302/4885

“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.