SCHEMBL1787027

SCHEMBL1787027

COc1cc(C(=O)NC2CCN(Cc3cc4cccnc4s3)CC2)cc(OC)c1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.53
ALDH1A1 P00352 2/20 0.49
DRD4 P21917 3/20 0.47
CXCR6 O00574 1/20 0.46
SSTR5 P35346 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45

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 0.77 MCHR1 (0.76) MCHR1DRD4TSHRACHE
SCHEMBL1786435 0.77 CXCR6 (0.63) MCHR1DRD4CXCR6SSTR5
SCHEMBL1788208 0.75 MCHR1 (0.79) MCHR1DRD4SSTR5
SCHEMBL12614652 0.72 SSTR5 (0.58) MCHR1ALDH1A1SSTR5
SCHEMBL1787608 0.72 SSTR5 (0.58) MCHR1DRD4SSTR5ACHE
SCHEMBL3134120 0.72 MCHR1 (0.70) MCHR1DRD4
SCHEMBL1786360 0.71 SSTR5 (0.53) MCHR1ALDH1A1DRD4SSTR5ACHE
SCHEMBL1785289 0.71 MCHR1 (0.56) MCHR1ALDH1A1SSTR5TSHRACHE
SCHEMBL1786818 0.71 SSTR5 (0.49) MCHR1ALDH1A1DRD4SSTR5ACHE
SCHEMBL1787153 0.71 SSTR5 (0.55) MCHR1ALDH1A1DRD4CXCR6SSTR5

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 MCHR1 1/4885ALDH1A1 1615/4885DRD4 115/4885

“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.