SCHEMBL1785289

SCHEMBL1785289

COc1cc(C(=O)NC2CCN(Cc3cc4sccc4n3C)CC2)cc(OC)c1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.56
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SSTR5 P35346 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 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
SCHEMBL1788208 0.83 MCHR1 (0.79) MCHR1SSTR5
SCHEMBL1789399 0.76 MCHR1 (0.76) MCHR1TSHRRAB9AACHEMAOB
SCHEMBL1787246 0.75 MCHR1 (0.54) MCHR1ALDH1A1SSTR5ACHEPOLB
SCHEMBL12614652 0.73 SSTR5 (0.58) MCHR1ALDH1A1SSTR5POLB
SCHEMBL1786435 0.73 CXCR6 (0.63) MCHR1SSTR5
SCHEMBL1786360 0.73 SSTR5 (0.53) MCHR1ALDH1A1SSTR5ACHEPOLB
SCHEMBL1786965 0.72 MCHR1 (0.52) MCHR1SSTR5ACHEPOLB
SCHEMBL1787027 0.71 MCHR1 (0.53) MCHR1TSHRALDH1A1SSTR5ACHE
SCHEMBL3134120 0.71 MCHR1 (0.70) MCHR1
SCHEMBL1787153 0.70 SSTR5 (0.55) MCHR1ALDH1A1SSTR5ACHE

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 5 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
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
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
WO-2010013595-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE 萬有製薬株式会社 (JP) 2010-02-04 WO 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 1/4885NPSR1 82/4885NPC1 419/4885

“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.