SCHEMBL1004235

SCHEMBL1004235

CC(C)(C)[S+]([O-])NC(c1ccc(F)c(F)c1)(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1)C(F)F

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.51
KCNH2 Q12809 11/20 0.51

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
SCHEMBL1004234 1.00 MCHR1 (0.51) MCHR1KCNH2
SCHEMBL1002752 0.90 MCHR1 (0.54) MCHR1KCNH2
SCHEMBL1002750 0.90 MCHR1 (0.54) MCHR1KCNH2
SCHEMBL1002472 0.88 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL1004678 0.88 MCHR1 (0.54) MCHR1KCNH2
SCHEMBL1002473 0.88 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL1004679 0.88 MCHR1 (0.54) MCHR1KCNH2
SCHEMBL1003635 0.87 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL1003634 0.87 MCHR1 (0.52) MCHR1KCNH2
Trifluoroacetic Acid SCHEMBL1003655 0.84 MCHR1 (0.49) MCHR1KCNH2

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 2385/4885

“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.