SCHEMBL13640822

SCHEMBL13640822

CCOC(=O)NC1CCCCC(CN2CCC3(CC2)CNc2ccc(C)cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRL1 P41146 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 10/20 0.39
DRD2 P14416 1/20 0.36
CCR3 P51677 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13641068 0.92 CCR3 (0.41) OPRM1OPRL1OPRK1KCNH2DRD2
SCHEMBL13640792 0.87 POLB (0.37) OPRM1OPRL1KCNH2DRD2SMN1; SMN2
SCHEMBL13640808 0.80 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL12293656 0.80 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL12084552 0.80 CHRM1 (0.47) OPRM1OPRL1OPRD1OPRK1KCNH2
SCHEMBL13643898 0.79 KCNH2 (0.40) OPRM1OPRL1OPRD1OPRK1KCNH2
SCHEMBL13640785 0.79 SETD2 (0.38) OPRM1OPRL1DRD2CHRM1MEN1
SCHEMBL13641006 0.79 POLB (0.44) DRD2CHRM1SMN1; SMN2
SCHEMBL23798578 0.78 CHRM1 (0.40) OPRM1OPRL1KCNH2CHRM1
SCHEMBL12928876 0.77 KCNH2 (0.40) OPRM1OPRL1OPRD1OPRK1KCNH2

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 177/4885OPRL1 108/4885OPRD1 221/4885

“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.