SCHEMBL10060259

SCHEMBL10060259

CC(C)[C@H]1Cc2ccccc2[C@H]2CC[C@@H](C(C)C)N2C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.39
BIRC3 Q13489 4/20 0.39
BIRC2 Q13490 4/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HBB P68871 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL10079282 0.89 XIAP (0.36) XIAPBIRC3BIRC2OPRM1OPRK1
SCHEMBL13818345 0.78 CHRNA7 (0.44) OPRM1OPRK1CHRNA7KDM4EALDH1A1
SCHEMBL4737427 0.77 XIAP (0.48) XIAPBIRC3BIRC2MMEACE
SCHEMBL10060258 0.73 OPRM1 (0.36) XIAPBIRC3BIRC2OPRM1OPRK1
SCHEMBL10079284 0.73 OPRM1 (0.42) OPRM1OPRK1
SCHEMBL15468300 0.70 OPRM1 (0.43) XIAPBIRC3BIRC2OPRM1CHRNA7
SCHEMBL10346054 0.66 DRD4 (0.46) MAPTMAPK1
SCHEMBL13439279 0.65 AADAT (0.41) OPRM1OPRK1MAPTSMN1; SMN2
SCHEMBL19917242 0.65 AR (0.37) OPRM1OPRK1ALOX15TSHR
SCHEMBL10060271 0.65 OPRM1 (0.34) OPRM1OPRK1

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 XIAP 6/4885BIRC3 3/4885BIRC2 2/4885
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 XIAP 6/4885BIRC3 3/4885BIRC2 2/4885

“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.