SCHEMBL12315902

SCHEMBL12315902

COC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(C(=O)N(C)C)c1ccccc13)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
AXL P30530 2/20 0.39
CSNK1D P48730 2/20 0.39
MERTK Q12866 2/20 0.39
SLC18A3 Q16572 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRL1 P41146 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRM1 P11229 3/20 0.37
CHRM4 P08173 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
GRM5 P41594 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
SCHEMBL12315886 0.93 OPRL1 (0.39) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12315905 0.90 NOTUM (0.41) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12315903 0.90 CHRM1 (0.45) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL13000592 0.90 NOTUM (0.56) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12316029 0.90 KDM1A (0.46) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12315910 0.89 CHRM1 (0.39) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12315904 0.89 CHRM1 (0.40) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12315896 0.87 NOTUM (0.44) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12084676 0.87 GRM5 (0.37) NOTUMAXLCSNK1DMERTKFGFR1
SCHEMBL12338508 0.86 CHRM1 (0.43) NOTUMAXLCSNK1DMERTKSLC18A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 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 (1 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-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 NOTUM 1978/4885AXL 1690/4885CSNK1D 1799/4885

“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.