SCHEMBL10060271

SCHEMBL10060271

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
OPRK1 P41145 1/20 0.34
PIK3CD O00329 2/20 0.33
TLR4 O00206 2/20 0.32

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
SCHEMBL10060261 0.93 MAPK1 (0.37) OPRM1OPRL1OPRK1
SCHEMBL11952915 0.91 MAPK1 (0.36) OPRM1OPRL1OPRK1PIK3CD
SCHEMBL10060273 0.87 OPRM1 (0.31) OPRM1OPRL1OPRK1PIK3CD
SCHEMBL12771380 0.81 PIK3CD (0.38) OPRM1OPRL1OPRK1PIK3CD
SCHEMBL12771389 0.81 PIK3CD (0.38) OPRM1OPRL1OPRK1PIK3CD
SCHEMBL10079285 0.77 MAPK1 (0.36) OPRM1OPRL1OPRK1PIK3CD
SCHEMBL10060268 0.77 MAPK1 (0.36)
SCHEMBL28342068 0.75 XIAP (0.37)
SCHEMBL10060267 0.75 FAP (0.36) PIK3CD
SCHEMBL11952911 0.74

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

“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.