SCHEMBL13640730

SCHEMBL13640730

Cc1ccc2c(c1)C1(CCN([C@H](C)C3CCCC3)CC1)CN2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRL1 P41146 4/20 0.43
SLC6A2 P23975 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
LRRK2 Q5S007 1/20 0.33
OPRK1 P41145 2/20 0.32
OPRD1 P41143 1/20 0.30

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
SCHEMBL13641007 1.00 OPRM1 (0.43) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL13640927 0.87 TNKS (0.37) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL13641059 0.87 OPRM1 (0.43) OPRM1OPRL1LRRK2OPRK1
SCHEMBL13640923 0.84 TNKS (0.41) OPRM1OPRL1OPRK1OPRD1
SCHEMBL13644097 0.79 OPRL1 (0.43) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL12899071 0.78 OPRM1 (0.45) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL12084100 0.77 OPRM1 (0.46) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL13640808 0.76 OPRM1 (0.54) OPRM1OPRL1OPRK1OPRD1
SCHEMBL12293656 0.76 OPRM1 (0.54) OPRM1OPRL1OPRK1OPRD1
SCHEMBL13644039 0.75 OPRM1 (0.41) OPRM1OPRL1SLC6A2GRIN1GRIN2A

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 108/4885SLC6A2 772/4885

“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.