SCHEMBL1005167

SCHEMBL1005167

CNC(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.59
KCNH2 Q12809 10/20 0.59
SIGMAR1 Q99720 1/20 0.42
ADRA1A P35348 2/20 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
SCHEMBL1002502 0.91 MCHR1 (0.55) MCHR1KCNH2ADRA1A
SCHEMBL1003458 0.91 MCHR1 (0.56) MCHR1KCNH2SIGMAR1
SCHEMBL1002506 0.91 MCHR1 (0.54) MCHR1KCNH2ADRA1A
Hydrochloric Acid SCHEMBL1002702 0.90 MCHR1 (0.54) MCHR1KCNH2SIGMAR1ADRA1A
SCHEMBL1003280 0.90 MCHR1 (0.57) MCHR1KCNH2ADRA1A
SCHEMBL1002838 0.89 MCHR1 (0.55) MCHR1KCNH2ADRA1A
SCHEMBL1003387 0.88 MCHR1 (0.55) MCHR1KCNH2ADRA1A
SCHEMBL1005455 0.88 MCHR1 (0.55) MCHR1KCNH2ADRA1A
SCHEMBL1003302 0.87 MCHR1 (0.62) MCHR1KCNH2SIGMAR1
SCHEMBL1003092 0.87 MCHR1 (0.55) MCHR1KCNH2ADRA1A

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 2385/4885SIGMAR1 188/4885

“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.