SCHEMBL2758004

SCHEMBL2758004

CCCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.53
EBP Q15125 1/20 0.51
MCHR2 Q969V1 7/20 0.50
DRD2 P14416 2/20 0.47
SLC6A4 P31645 2/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2758090 0.93 MCHR2 (0.52) SIGMAR1EBPMCHR2DRD2SLC6A4
SCHEMBL2758170 0.89 MCHR2 (0.47) SIGMAR1EBPMCHR2DRD2SLC6A4
SCHEMBL2758183 0.87 MCHR2 (0.49) SIGMAR1EBPMCHR2DRD2SLC6A4
SCHEMBL2758016 0.87 MCHR2 (0.47) SIGMAR1MCHR2DRD2SLC6A4KCNH2
SCHEMBL12999742 0.86 MCHR2 (0.46) SIGMAR1MCHR2DRD2SLC6A4KCNH2
SCHEMBL241428 0.85 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2
SCHEMBL241429 0.85 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2
SCHEMBL2758063 0.85 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2
SCHEMBL2758157 0.85 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2
SCHEMBL12293251 0.85 MCHR2 (0.60) SIGMAR1EBPMCHR2DRD2SLC6A4

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 SIGMAR1 237/4885EBP 2877/4885MCHR2 159/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 SIGMAR1 237/4885EBP 2877/4885MCHR2 159/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 SIGMAR1 237/4885EBP 2877/4885MCHR2 159/4885

“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.