SCHEMBL1787304

SCHEMBL1787304

COc1ccc2[nH]c(CN3CCC(NC(=O)c4cc(OC)c(C)c(OC)c4)CC3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.49
CXCR6 O00574 2/20 0.47
POLB P06746 1/20 0.45
KCNH2 Q12809 2/20 0.44
SSTR5 P35346 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL1787698 0.84 MCHR1 (0.49) MCHR1CXCR6POLBSSTR5KDM4E
SCHEMBL1789399 0.76 MCHR1 (0.76) MCHR1KCNH2KMT2AACHE
SCHEMBL1786435 0.76 CXCR6 (0.63) MCHR1CXCR6KCNH2SSTR5
SCHEMBL1787153 0.75 SSTR5 (0.55) MCHR1CXCR6SSTR5KDM4EALDH1A1
SCHEMBL1789890 0.74 MCHR1 (0.53) MCHR1KCNH2SSTR5KDM4EALDH1A1
SCHEMBL1784905 0.73 SOS1 (0.59) MCHR1SSTR5KMT2AACHE
SCHEMBL3134120 0.72 MCHR1 (0.70) MCHR1
SCHEMBL1788208 0.72 MCHR1 (0.79) MCHR1SSTR5
SCHEMBL1787027 0.71 MCHR1 (0.53) MCHR1CXCR6SSTR5ALDH1A1ACHE
SCHEMBL1786360 0.70 SSTR5 (0.53) MCHR1POLBKCNH2SSTR5ALDH1A1

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 1/4885CXCR6 329/4885POLB 1975/4885

“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.