SCHEMBL1787698

SCHEMBL1787698

COc1cc(C(=O)NC2CCN(Cc3cc4[nH]c(=O)ccc4[nH]3)CC2)cc(OC)c1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.49
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CXCR6 O00574 1/20 0.46
SSTR5 P35346 1/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1787304 0.84 MCHR1 (0.49) MCHR1KMT2AKDM4EALDH1A1CXCR6
SCHEMBL1789399 0.77 MCHR1 (0.76) MCHR1KMT2AACHEMEN1
SCHEMBL1787153 0.77 SSTR5 (0.55) MCHR1KMT2AKDM4EALDH1A1CXCR6
SCHEMBL1789890 0.75 MCHR1 (0.53) MCHR1KMT2AKDM4EALDH1A1SSTR5
SCHEMBL1784905 0.74 SOS1 (0.59) MCHR1KMT2ASSTR5ACHEMEN1
SCHEMBL3134120 0.72 MCHR1 (0.70) MCHR1
SCHEMBL1788208 0.71 MCHR1 (0.79) MCHR1SSTR5
SCHEMBL1787608 0.70 SSTR5 (0.58) MCHR1SSTR5ACHE
SCHEMBL12614652 0.70 SSTR5 (0.58) MCHR1KMT2AKDM4EALDH1A1SSTR5
SCHEMBL1787246 0.70 MCHR1 (0.54) MCHR1KMT2AKDM4EALDH1A1SSTR5

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 1/4885KMT2A 1001/4885KDM4E 3364/4885

“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.