SCHEMBL3873309

SCHEMBL3873309

CC(c1ccc(CCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.53
CHRM1 P11229 2/20 0.52
HTR2A P28223 2/20 0.52
CYP2D6 P10635 1/20 0.52
CD274 Q9NZQ7 1/20 0.49
NAMPT P43490 1/20 0.48
SLC6A4 P31645 1/20 0.47
CHRM4 P08173 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ESRRB O95718 1/20 0.45
ESRRG P62508 1/20 0.45
TEAD1 P28347 1/20 0.44
TGM2 P21980 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 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
SCHEMBL3872342 0.99 MCHR1 (0.53) MCHR1CHRM1HTR2ACYP2D6CD274
SCHEMBL3870597 0.99 MCHR1 (0.53) MCHR1CHRM1HTR2ACYP2D6CD274
SCHEMBL3881228 0.89 MCHR1 (0.67) MCHR1CHRM1HTR2ACYP2D6CD274
SCHEMBL3878626 0.88 MCHR1 (0.66) MCHR1CHRM1HTR2ACYP2D6CD274
SCHEMBL3870762 0.88 MCHR1 (0.66) MCHR1CHRM1HTR2ACYP2D6CD274
SCHEMBL3872340 0.88 ALDH1A1 (0.58) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3868712 0.88 MCHR1 (0.55) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3873986 0.88 TRPV1 (0.53) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3870885 0.87 ALDH1A1 (0.57) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3870079 0.87 ALDH1A1 (0.57) MCHR1CHRM1HTR2ACYP2D6ALDH1A1

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 217/4885HTR2A 94/4885

“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.