SCHEMBL1002597

SCHEMBL1002597

O=C(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.77
KCNH2 Q12809 11/20 0.77
AVPR1A P37288 2/20 0.45
SIGMAR1 Q99720 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
SCHEMBL13664937 0.91 MCHR1 (0.65) MCHR1KCNH2AVPR1ASIGMAR1
SCHEMBL13664942 0.91 MCHR1 (0.64) MCHR1KCNH2AVPR1A
SCHEMBL1003284 0.90 MCHR1 (0.66) MCHR1KCNH2AVPR1A
SCHEMBL1002467 0.90 MCHR1 (0.66) MCHR1KCNH2AVPR1A
SCHEMBL1005466 0.90 MCHR1 (0.63) MCHR1KCNH2AVPR1ASIGMAR1
SCHEMBL13664933 0.90 MCHR1 (0.63) MCHR1KCNH2AVPR1A
SCHEMBL13664943 0.89 MCHR1 (0.64) MCHR1KCNH2AVPR1A
SCHEMBL13664929 0.88 MCHR1 (0.63) MCHR1KCNH2AVPR1A
SCHEMBL13664934 0.88 MCHR1 (0.60) MCHR1KCNH2AVPR1A
SCHEMBL4066849 0.87 MCHR1 (1.00) MCHR1KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 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 (2 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 MCHR1 3/4885KCNH2 2385/4885AVPR1A 29/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 MCHR1 730/4885KCNH2 296/4885AVPR1A 364/4885

“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.