SCHEMBL1786435

SCHEMBL1786435

COc1cc(C(=O)NC2CCN(Cc3nc4ccccc4s3)CC2)cc(OC)c1C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 9/20 0.63
MCHR1 Q99705 6/20 0.54
SSTR5 P35346 3/20 0.51
LTA4H P09960 1/20 0.49
KCNH2 Q12809 1/20 0.49
DRD4 P21917 1/20 0.48

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
SCHEMBL1789399 0.80 MCHR1 (0.76) MCHR1KCNH2DRD4
SCHEMBL1787027 0.77 MCHR1 (0.53) CXCR6MCHR1SSTR5DRD4
SCHEMBL1788208 0.76 MCHR1 (0.79) MCHR1SSTR5DRD4
SCHEMBL1787304 0.76 MCHR1 (0.49) CXCR6MCHR1SSTR5KCNH2
SCHEMBL1786360 0.74 SSTR5 (0.53) MCHR1SSTR5KCNH2DRD4
SCHEMBL1787153 0.74 SSTR5 (0.55) CXCR6MCHR1SSTR5DRD4
SCHEMBL1784905 0.73 SOS1 (0.59) MCHR1SSTR5DRD4
SCHEMBL1787608 0.73 SSTR5 (0.58) MCHR1SSTR5DRD4
SCHEMBL12614652 0.73 SSTR5 (0.58) MCHR1SSTR5
SCHEMBL1787246 0.73 MCHR1 (0.54) MCHR1SSTR5DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 CXCR6 329/4885MCHR1 1/4885SSTR5 22/4885

“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.