SCHEMBL13640761

SCHEMBL13640761

CC1CCCC(CN2CCC3(CC2)CNc2ccc(F)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.45
OPRL1 P41146 5/20 0.45
OPRK1 P41145 4/20 0.45
SIGMAR1 Q99720 7/20 0.38
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
DRD2 P14416 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ACHE P22303 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL5578842 0.90 OPRM1 (0.45) OPRM1OPRL1OPRK1SIGMAR1GRIN2D
SCHEMBL12084297 0.89 OPRM1 (0.53) OPRM1OPRL1OPRK1SIGMAR1GRIN2D
SCHEMBL13640817 0.82 OPRM1 (0.44) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12899439 0.81 OPRM1 (0.37) OPRM1OPRL1OPRK1SIGMAR1GRIN2D
SCHEMBL12899323 0.81 OPRM1 (0.37) OPRM1OPRL1OPRK1SIGMAR1GRIN2D
SCHEMBL13640748 0.78 OPRM1 (0.36) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL13640808 0.78 OPRM1 (0.54) OPRM1OPRL1OPRK1SIGMAR1DRD2
SCHEMBL12293656 0.78 OPRM1 (0.54) OPRM1OPRL1OPRK1SIGMAR1DRD2
SCHEMBL12198647 0.77 KCNH2 (0.54) OPRM1OPRL1OPRK1
SCHEMBL13640833 0.76 OPRL1 (0.46) OPRM1OPRL1OPRK1SIGMAR1DRD2

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 108/4885OPRK1 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.