SCHEMBL10060261

SCHEMBL10060261

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
XIAP P98170 2/20 0.30

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
SCHEMBL11952915 0.95 MAPK1 (0.36) MAPK1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL10060271 0.93 OPRM1 (0.34) OPRM1OPRL1OPRK1
SCHEMBL10060268 0.84 MAPK1 (0.36) MAPK1ALDH1A1MCOLN3
SCHEMBL10079285 0.84 MAPK1 (0.36) MAPK1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL10060273 0.84 OPRM1 (0.31) OPRM1OPRL1OPRK1
SCHEMBL12771389 0.78 PIK3CD (0.38) OPRM1OPRL1OPRK1
SCHEMBL12771380 0.78 PIK3CD (0.38) OPRM1OPRL1OPRK1
SCHEMBL4737540 0.73 MAPK1 (0.38) MAPK1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL11952911 0.71
SCHEMBL10060262 0.71 ACE (0.30)

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 4 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-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 MAPK1 890/4885OPRM1 4489/4885OPRL1 3302/4885
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 MAPK1 890/4885OPRM1 4489/4885OPRL1 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.