SCHEMBL2758173

SCHEMBL2758173

CN(C)C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
ADRA1A P35348 2/20 0.39
MCHR1 Q99705 2/20 0.39
MCHR2 Q969V1 8/20 0.39
KCNH2 Q12809 3/20 0.38
CACNA1I Q9P0X4 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
SLC6A4 P31645 2/20 0.37

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
SCHEMBL2758290 1.00 DRD2 (0.40) DRD2HTR2ADRD3ADRA1AMCHR1
SCHEMBL2758279 0.93 MCHR2 (0.46) DRD2HTR2ADRD3ADRA1AMCHR1
SCHEMBL241428 0.88 MCHR2 (0.48) DRD2HTR2ADRD3MCHR2KCNH2
SCHEMBL241429 0.88 MCHR2 (0.48) DRD2HTR2ADRD3MCHR2KCNH2
SCHEMBL2758063 0.88 MCHR2 (0.48) DRD2HTR2ADRD3MCHR2KCNH2
SCHEMBL2758066 0.87 MCHR2 (0.41) DRD2HTR2ADRD3MCHR2KCNH2
SCHEMBL2758153 0.87 MCHR2 (0.41) DRD2HTR2ADRD3MCHR2KCNH2
SCHEMBL2758003 0.86 MCHR2 (0.39) DRD2HTR2ADRD3MCHR2KCNH2
SCHEMBL2758156 0.86 MCHR2 (0.39) DRD2HTR2ADRD3MCHR2KCNH2
SCHEMBL2758145 0.85 CCR5 (0.40) DRD2HTR2ADRD3ADRA1AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
WO-2007100664-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 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 (3 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 DRD2 757/4885HTR2A 199/4885DRD3 1007/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 DRD2 757/4885HTR2A 199/4885DRD3 1007/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 DRD2 757/4885HTR2A 199/4885DRD3 1007/4885

“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.