SCHEMBL13041592

SCHEMBL13041592

CB(O)N1CCC2(CC1)C(=O)N(CCC#N)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.45
OPRM1 P35372 5/20 0.45
OPRK1 P41145 4/20 0.43
EGLN1 Q9GZT9 2/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL13041443 0.81 OPRL1 (0.58) OPRL1OPRM1OPRK1EGLN1
SCHEMBL3735180 0.79 OPRL1 (0.42) OPRL1OPRM1OPRK1EGLN1TNKS
SCHEMBL3742698 0.78 HDAC1 (0.44) OPRL1OPRM1OPRK1
SCHEMBL13041512 0.78 OPRL1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL3729128 0.74 C5AR1 (0.45) OPRL1OPRM1
SCHEMBL13310537 0.73 EGLN1 (0.56) OPRL1EGLN1
SCHEMBL11640576 0.72 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL13041582 0.70 OPRL1 (0.52) OPRL1OPRM1OPRK1EGLN1
SCHEMBL11640983 0.70 OPRL1 (0.53) OPRL1OPRM1OPRK1EGLN1TNKS
SCHEMBL16618696 0.70 OPRL1 (0.51) OPRL1OPRM1OPRK1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 OPRL1 233/4885OPRM1 610/4885OPRK1 407/4885

“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.