SCHEMBL2758112

SCHEMBL2758112

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 9/20 0.45
DRD2 P14416 5/20 0.43
KCNH2 Q12809 3/20 0.43
SLC6A4 P31645 2/20 0.43
CCR5 P51681 1/20 0.39
ADRA1A P35348 1/20 0.36
MCHR1 Q99705 1/20 0.36
CACNA1I Q9P0X4 2/20 0.35
HTR1A P08908 2/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL2758279 0.90 MCHR2 (0.46) MCHR2DRD2KCNH2SLC6A4CCR5
SCHEMBL2758264 0.88 MCHR2 (0.45) MCHR2DRD2KCNH2SLC6A4ADRA1A
SCHEMBL2758244 0.87 MCHR2 (0.57) MCHR2DRD2KCNH2SLC6A4CACNA1I
SCHEMBL2758229 0.86 MCHR2 (0.48) MCHR2DRD2KCNH2SLC6A4CACNA1I
SCHEMBL2758272 0.85 MCHR2 (0.47) MCHR2DRD2KCNH2SLC6A4CACNA1I
SCHEMBL2758280 0.84 MCHR2 (0.46) MCHR2DRD2KCNH2SLC6A4CACNA1I
SCHEMBL2758257 0.84 MCHR2 (0.49) MCHR2DRD2KCNH2SLC6A4HTR1A
SCHEMBL2758246 0.83 MCHR2 (0.45) MCHR2DRD2KCNH2SLC6A4CACNA1I
SCHEMBL2758173 0.83 DRD2 (0.40) MCHR2DRD2KCNH2SLC6A4ADRA1A
SCHEMBL2758290 0.83 DRD2 (0.40) MCHR2DRD2KCNH2SLC6A4ADRA1A

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 10 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

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 MCHR2 159/4885DRD2 757/4885KCNH2 571/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885KCNH2 571/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885KCNH2 571/4885

“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.