SCHEMBL3533314

SCHEMBL3533314

CNC(=O)C1=CC2(CCN(C3CC4CCC3C4)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.46
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.34
SPR P35270 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 2/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL12991073 1.00 OPRL1 (0.46) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12991116 0.88 KDM4E (0.50) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL3536719 0.88 KDM4E (0.50) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12991383 0.88 KDM4E (0.43) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12991280 0.86 OPRL1 (0.40) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL3540520 0.86 OPRL1 (0.40) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL14318676 0.83 KDM4E (0.34) OPRL1KDM4EALDH1A1HTTHPGD
SCHEMBL14274099 0.83 KDM4E (0.34) OPRL1KDM4EALDH1A1HTTHPGD
SCHEMBL12991315 0.82 OPRL1 (0.36) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12991349 0.82 KDM4E (0.38) OPRL1KDM4EKMT2APKMMEN1

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 9 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
EP-2040706-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-01 EP 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
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 69/4885KDM4E 3396/4885KMT2A 2362/4885

“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.