SCHEMBL3537334

SCHEMBL3537334

CCC(CC)NC(=O)C1=CC2(CCN(C3CCNCC3)CC2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.35
OPRM1 P35372 5/20 0.34
SMYD3 Q9H7B4 2/20 0.33
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32
OPRK1 P41145 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL12990965 0.91 OPRL1 (0.39) OPRL1OPRM1KCNH2GRIN2B
SCHEMBL12991013 0.90 OPRL1 (0.40) OPRL1OPRM1KCNH2GRIN2B
SCHEMBL12991021 0.90 OPRL1 (0.40) OPRL1OPRM1KCNH2GRIN2B
SCHEMBL12990999 0.88 KMT2A (0.41) OPRL1OPRM1OPRK1
SCHEMBL12991220 0.87 OPRL1 (0.36) OPRL1OPRM1NAMPT
SCHEMBL12990573 0.86 L3MBTL1 (0.38) OPRL1
SCHEMBL12991059 0.86 ACACB (0.38) OPRL1OPRM1NAMPT
SCHEMBL12990963 0.86 ACACB (0.37) OPRL1
SCHEMBL3537215 0.86 HTT (0.37) OPRM1KCNH2OPRK1NAMPT
SCHEMBL12991090 0.85 NPSR1 (0.38) OPRL1OPRM1

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-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

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 66/4885SMYD3 2100/4885

“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.