SCHEMBL2882746

SCHEMBL2882746

CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](c2ccn4cnnc4c2)C3)cn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.46
KCNH2 Q12809 4/20 0.46
FASN P49327 1/20 0.30
OPRM1 P35372 3/20 0.30
OPRD1 P41143 3/20 0.30

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
SCHEMBL2883626 1.00 MCHR1 (0.46) MCHR1KCNH2FASNOPRM1OPRD1
SCHEMBL2883375 0.87 MCHR1 (0.46) MCHR1KCNH2FASN
SCHEMBL2883374 0.87 MCHR1 (0.46) MCHR1KCNH2FASN
SCHEMBL2883113 0.80 MCHR1 (0.45) MCHR1KCNH2FASN
SCHEMBL2883117 0.80 MCHR1 (0.45) MCHR1KCNH2FASN
SCHEMBL2883835 0.79 MCHR1 (0.55) MCHR1KCNH2FASN
SCHEMBL2883834 0.79 MCHR1 (0.55) MCHR1KCNH2FASN
SCHEMBL1426253 0.78 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL1426255 0.78 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL2877532 0.78 MCHR1 (0.54) MCHR1KCNH2FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 MCHR1 2/4885KCNH2 565/4885FASN 3762/4885

“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.