SCHEMBL3870965

SCHEMBL3870965

O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.75
CHRM1 P11229 3/20 0.69
CHRM2 P08172 2/20 0.69
CHRM5 P08912 1/20 0.69
CHRM3 P20309 1/20 0.69
HTR2A P28223 2/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM4 P08173 3/20 0.52
TRPV1 Q8NER1 2/20 0.47
ESRRG P62508 1/20 0.43

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
SCHEMBL3874070 0.89 MCHR1 (0.78) MCHR1CHRM1CHRM2CHRM5CHRM3
SCHEMBL3881257 0.87 MCHR1 (0.80) MCHR1CHRM1CHRM2CHRM5CHRM3
SCHEMBL3872737 0.87 MCHR1 (0.86) MCHR1CHRM1CHRM2CHRM5CHRM3
SCHEMBL3874051 0.86 MCHR1 (0.84) MCHR1CHRM1CHRM2CHRM5CHRM3
SCHEMBL3868677 0.86 MCHR1 (1.00) MCHR1CHRM1CHRM2CHRM5CHRM3
SCHEMBL3869846 0.86 MCHR1 (0.72) MCHR1CHRM1CHRM2HTR2ACYP2D6
SCHEMBL3871971 0.85 MCHR1 (0.83) MCHR1CHRM1CHRM2CHRM5CHRM3
SCHEMBL3871141 0.85 MCHR1 (0.98) MCHR1CHRM1CHRM2CHRM5CHRM3
SCHEMBL29432072 0.82 CHRM2 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL3867767 0.79 MCHR1 (0.60) MCHR1CHRM1CHRM2CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 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-20060128690-A1 Amine derivative MC1R, MC2R, MC4R MCHR1 4/4885CHRM1 217/4885CHRM2 325/4885

“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.