SCHEMBL13314935

SCHEMBL13314935

O=C1Nc2ccccc2C2(CCN(CC3CCOCC3)CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.53
OPRM1 P35372 3/20 0.53
OPRK1 P41145 3/20 0.53
PDE7A Q13946 1/20 0.51
PLD1 Q13393 1/20 0.46
EBP Q15125 8/20 0.42
SLC39A7 Q92504 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8226037 0.89 OPRL1 (0.66) OPRL1OPRM1OPRK1PDE7APLD1
SCHEMBL8222333 0.88 OPRL1 (0.68) OPRL1OPRM1OPRK1PDE7APLD1
SCHEMBL13314936 0.82 PDE7A (0.55) OPRL1OPRM1OPRK1PDE7APLD1
SCHEMBL17779014 0.81 HRH3 (0.46) OPRL1OPRM1OPRK1EBPSIGMAR1
SCHEMBL13314896 0.79 OPRL1 (0.53) OPRL1OPRM1OPRK1PLD1EBP
SCHEMBL13314937 0.76 PDE7A (0.48) OPRL1OPRM1OPRK1PDE7APLD1
SCHEMBL12935322 0.76 HRH3 (0.44) OPRL1OPRM1OPRK1EBPSIGMAR1
SCHEMBL13052383 0.75 PDE7A (0.58) OPRL1OPRM1OPRK1PDE7APLD1
SCHEMBL27048955 0.75 PDE7A (0.58) PDE7APLD1SLC39A7SIGMAR1
SCHEMBL25274795 0.75 OPRL1 (0.47) OPRL1OPRM1OPRK1EBPSIGMAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152176-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-17 US disclosed
US-20100152176-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-17 US disclosed
US-7696201-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-7696201-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US disclosed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 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 (2 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-20080176843-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 OPRL1 69/4885OPRM1 66/4885OPRK1 114/4885
US-20100152176-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 OPRL1 69/4885OPRM1 66/4885OPRK1 114/4885

“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.