SCHEMBL2758246

SCHEMBL2758246

CC(C)(C)CCN1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 8/20 0.45
HSD11B1 P28845 4/20 0.43
HSD11B2 P80365 3/20 0.43
DRD2 P14416 3/20 0.43
KCNH2 Q12809 3/20 0.43
SLC6A4 P31645 2/20 0.43
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.38
CACNA1I Q9P0X4 2/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
NAE1 Q13564 1/20 0.36
UBA3 Q8TBC4 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL2758227 0.91 MCHR2 (0.43) MCHR2HSD11B1HSD11B2DRD2KCNH2
SCHEMBL2758244 0.88 MCHR2 (0.57) MCHR2HSD11B1HSD11B2DRD2KCNH2
SCHEMBL2758229 0.87 MCHR2 (0.48) MCHR2HSD11B1HSD11B2DRD2KCNH2
SCHEMBL2758275 0.86 MCHR2 (0.45) MCHR2HSD11B1HSD11B2DRD2KCNH2
SCHEMBL2758272 0.86 MCHR2 (0.47) MCHR2HSD11B1HSD11B2DRD2KCNH2
SCHEMBL2758224 0.85 MCHR2 (0.45) MCHR2DRD2KCNH2SLC6A4CACNA1I
SCHEMBL2758257 0.85 MCHR2 (0.49) MCHR2DRD2KCNH2SLC6A4
SCHEMBL2758280 0.85 MCHR2 (0.46) MCHR2HSD11B1HSD11B2DRD2KCNH2
SCHEMBL2758279 0.85 MCHR2 (0.46) MCHR2HSD11B1HSD11B2DRD2KCNH2
SCHEMBL2758112 0.83 MCHR2 (0.45) MCHR2HSD11B1HSD11B2DRD2KCNH2

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 159/4885HSD11B1 1412/4885HSD11B2 1368/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885HSD11B1 1412/4885HSD11B2 1368/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885HSD11B1 1412/4885HSD11B2 1368/4885

“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.