SCHEMBL240533

SCHEMBL240533

CC(=O)NC1CCC2(CCNCC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 8/20 0.44
DRD2 P14416 2/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 1/20 0.40
ALOX15 P16050 1/20 0.37
HTR2C P28335 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HTR1F P30939 1/20 0.35

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
SCHEMBL240532 1.00 MCHR2 (0.44) MCHR2DRD2SLC6A4KCNH2ALOX15
SCHEMBL7632592 0.90 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2ALOX15
SCHEMBL12084760 0.90 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2ALOX15
SCHEMBL12425239 0.81 MCHR2 (0.47) MCHR2DRD2SLC6A4KCNH2ALOX15
SCHEMBL2991360 0.81 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2
SCHEMBL2758104 0.79 MCHR2 (0.52) MCHR2DRD2SLC6A4KCNH2
SCHEMBL13208064 0.78 MCHR2 (0.43) MCHR2DRD2SLC6A4KCNH2HTR2C
SCHEMBL13001153 0.78 MCHR2 (0.43) MCHR2DRD2SLC6A4KCNH2HTR2C
SCHEMBL8100165 0.77 MCHR2 (0.42) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL13207758 0.77 MCHR2 (0.44) MCHR2DRD2SLC6A4KCNH2

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 5 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-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-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

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.