SCHEMBL14580786

SCHEMBL14580786

CCCCOC(=O)N1C2CCC(N3CCC4(CC3)CN(C(C)=O)c3ccccc34)CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.52
AXL P30530 2/20 0.38
CSNK1D P48730 2/20 0.38
MERTK Q12866 2/20 0.38
BCHE P06276 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
FGFR1 P11362 1/20 0.36
KDR P35968 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
SCHEMBL13000328 0.94 NOTUM (0.50) NOTUMAXLCSNK1DMERTKBCHE
SCHEMBL14580769 0.94 NOTUM (0.54) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL14580788 0.91 NOTUM (0.52) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL13000600 0.91 NOTUM (0.52) NOTUMALDH1A1KMT2A
SCHEMBL12999998 0.89 NOTUM (0.52) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL14580751 0.89 NOTUM (0.54) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL14580839 0.88 NOTUM (0.49) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL14580764 0.87 NOTUM (0.52) NOTUMAXLCSNK1DMERTKSLC18A3
SCHEMBL12084247 0.87 NOTUM (0.54) NOTUMAXLCSNK1DMERTKALDH1A1
SCHEMBL14580791 0.86 NOTUM (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 NOTUM 1391/4885AXL 2493/4885CSNK1D 1760/4885

“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.