SCHEMBL13640762

SCHEMBL13640762

CC(CN1CCC2(CC1)C(=O)Nc1ccccc12)C1C=CCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
HTR1A P08908 12/20 0.45
HTR2A P28223 12/20 0.45
HTR7 P34969 12/20 0.45
HTR6 P50406 12/20 0.45
BACE1 P56817 2/20 0.39
PLD1 Q13393 3/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PLD2 O14939 1/20 0.37

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
SCHEMBL25362517 0.80 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL25362520 0.80 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL13640979 0.77 HRH3 (0.47) OPRM1PLD1
SCHEMBL13640765 0.77 SIGMAR1 (0.32) OPRM1PLD1PLD2
SCHEMBL13640989 0.76 SIGMAR1 (0.51) OPRM1OPRL1
SCHEMBL13640814 0.76 SIGMAR1 (0.51) OPRM1OPRL1
SCHEMBL13643825 0.75 OPRL1 (0.57) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL2298743 0.73 OPRM1 (0.63) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL25908098 0.72 OPRM1 (0.48) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL9963282 0.72 OPRM1 (0.54) 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.