SCHEMBL1005180

SCHEMBL1005180

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.56
KCNH2 Q12809 9/20 0.56
ADRA1A P35348 4/20 0.42
AVPR1A P37288 1/20 0.41

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
SCHEMBL1003280 0.92 MCHR1 (0.57) MCHR1KCNH2ADRA1A
SCHEMBL1001424 0.91 MCHR1 (0.55) MCHR1KCNH2ADRA1A
SCHEMBL1003420 0.91 MCHR1 (0.56) MCHR1KCNH2ADRA1AAVPR1A
SCHEMBL1003421 0.91 MCHR1 (0.56) MCHR1KCNH2ADRA1AAVPR1A
SCHEMBL1001556 0.90 MCHR1 (0.53) MCHR1KCNH2ADRA1A
SCHEMBL1003387 0.90 MCHR1 (0.55) MCHR1KCNH2ADRA1A
SCHEMBL1003092 0.89 MCHR1 (0.55) MCHR1KCNH2ADRA1A
SCHEMBL1002829 0.89 MCHR1 (0.55) MCHR1KCNH2ADRA1AAVPR1A
SCHEMBL1002500 0.89 MCHR1 (0.55) MCHR1KCNH2ADRA1AAVPR1A
SCHEMBL1002499 0.89 MCHR1 (0.55) MCHR1KCNH2ADRA1AAVPR1A

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-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

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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 MCHR1 3/4885KCNH2 2385/4885ADRA1A 38/4885

“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.