SCHEMBL13640931

SCHEMBL13640931

CC(C1CCCC1)N1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.59
OPRK1 P41145 3/20 0.59
OPRL1 P41146 3/20 0.59
HTR1A P08908 11/20 0.44
HTR2A P28223 11/20 0.44
HTR7 P34969 11/20 0.44
HTR6 P50406 11/20 0.44
BACE1 P56817 2/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 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
SCHEMBL9963282 0.83 OPRM1 (0.54) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL25900029 0.78 OPRM1 (0.52) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL25361298 0.77 OPRM1 (0.52) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL25361300 0.77 OPRM1 (0.52) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL30852995 0.77 OPRL1 (0.70) OPRM1OPRK1OPRL1
SCHEMBL13640923 0.76 TNKS (0.41) OPRM1OPRK1OPRL1HTR2ATNKS
SCHEMBL30676296 0.76 OPRM1 (0.51) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL1700315 0.75 OPRM1 (0.58) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL13480026 0.74 OPRL1 (1.00) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL13806582 0.73 OPRM1 (0.59) OPRM1OPRK1OPRL1HTR1AHTR2A

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-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 OPRM1 177/4885OPRK1 159/4885OPRL1 108/4885

“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.