SCHEMBL3877227

SCHEMBL3877227

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

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.79
CHRM1 P11229 4/20 0.77
HTR2A P28223 4/20 0.77
CYP2D6 P10635 3/20 0.77
CHRM4 P08173 1/20 0.64
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CD274 Q9NZQ7 1/20 0.57
EPHX2 P34913 1/20 0.56

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
SCHEMBL3877390 0.88 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL6248254 0.87 MCHR1 (0.78) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3868689 0.87 MCHR1 (0.98) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3875301 0.87 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3868266 0.87 MCHR1 (0.82) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3879136 0.87 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3869846 0.87 MCHR1 (0.72) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3881257 0.86 MCHR1 (0.80) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3870667 0.86 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3875743 0.86 MCHR1 (0.80) MCHR1CHRM1HTR2ACYP2D6KDM4E

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.