SCHEMBL3533276

SCHEMBL3533276

CCC(CC)NC(=O)C1=CC2(CCN(CC3CCCCC3)CC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.44
OPRM1 P35372 7/20 0.44
OPRK1 P41145 6/20 0.44
OPRD1 P41143 1/20 0.42
SIGMAR1 Q99720 6/20 0.42
DRD2 P14416 2/20 0.41
CCR1 P32246 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
SCHEMBL12990958 0.87 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL12991013 0.86 OPRL1 (0.40) OPRL1OPRM1
SCHEMBL12991021 0.86 OPRL1 (0.40) OPRL1OPRM1
SCHEMBL12990965 0.85 OPRL1 (0.39) OPRL1OPRM1
SCHEMBL12991123 0.82 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL12991356 0.81 DRD2 (0.33) DRD2
SCHEMBL12991132 0.81 HTR4 (0.37) DRD2
SCHEMBL12991333 0.81 KDM4E (0.36)
SCHEMBL12990817 0.81 KDM4E (0.36)
SCHEMBL12991081 0.81 CCR2 (0.36) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 WO 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-20080033002-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.