SCHEMBL13640833

SCHEMBL13640833

CC1CCCC(CN2CCC3(CC2)CNc2ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.46
OPRM1 P35372 5/20 0.46
OPRK1 P41145 4/20 0.46
SIGMAR1 Q99720 9/20 0.46
OPRD1 P41143 2/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
DRD2 P14416 2/20 0.38
CCR5 P51681 1/20 0.36

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
SCHEMBL12084571 0.86 OPRL1 (0.62) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL12899120 0.83 SIGMAR1 (0.46) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL25274795 0.79 OPRL1 (0.47) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL13641054 0.78 ALDH1A1 (0.42) OPRL1OPRM1SIGMAR1TNKSTNKS2
SCHEMBL13640761 0.76 OPRM1 (0.45) OPRL1OPRM1OPRK1SIGMAR1TNKS
SCHEMBL13643845 0.76 OPRL1 (0.42) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL13640925 0.75 TNKS (0.42) OPRL1OPRM1OPRK1SIGMAR1TNKS
SCHEMBL13226611 0.75 OPRM1 (0.37) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL12715975 0.75 TNKS (0.44) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL13880030 0.74 OPRM1 (0.44) OPRL1OPRM1TNKSTNKS2

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 OPRL1 108/4885OPRM1 177/4885OPRK1 159/4885

“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.