SCHEMBL2758016

SCHEMBL2758016

COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 8/20 0.47
DRD2 P14416 2/20 0.45
SLC6A4 P31645 2/20 0.45
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 3/20 0.41
SLC18A3 Q16572 2/20 0.41
OPRL1 P41146 2/20 0.41
HTR1A P08908 2/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL2758235 0.93 MCHR2 (0.54) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL2758251 0.89 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2OPRL1
SCHEMBL2758004 0.87 SIGMAR1 (0.53) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL2758090 0.85 MCHR2 (0.52) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL2758183 0.83 MCHR2 (0.49) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL2758170 0.83 MCHR2 (0.47) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL12999742 0.82 MCHR2 (0.46) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL241428 0.82 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2OPRL1
SCHEMBL241429 0.82 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2OPRL1
SCHEMBL2758157 0.82 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2OPRL1

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 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885

“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.