SCHEMBL3868658

SCHEMBL3868658

O=C(NCCc1ccc(CN2CCCC2)cc1)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.66
MCHR1 Q99705 8/20 0.57
CHRM1 P11229 3/20 0.57
HTR2A P28223 2/20 0.57
CYP2D6 P10635 1/20 0.57
HTR2C P28335 1/20 0.55
CHRM2 P08172 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM3 P20309 1/20 0.52
CCR1 P32246 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
LSS P48449 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6705872 0.90 CHRM4 (0.67) CHRM4MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6705916 0.90 CHRM4 (0.69) CHRM4MCHR1CHRM1CHRM2CHRM5
SCHEMBL6705871 0.88 CHRM4 (0.53) CHRM4MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6705886 0.88 CHRM4 (0.55) CHRM4MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6226116 0.84 MCHR1 (0.59) CHRM4MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6705571 0.84 ALDH1A1 (0.61) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6226331 0.84 MCHR1 (0.54) CHRM4MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6704588 0.82 CHRM4 (0.62) CHRM4MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6705906 0.81 MCHR1 (0.52) CHRM4MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6704534 0.81 L3MBTL3 (0.59) CHRM4MCHR1CHRM1HTR2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US claimed
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
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US 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 (2 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R CHRM4 467/4885MCHR1 2/4885CHRM1 295/4885
US-20060128690-A1 Amine derivative MC1R, MC2R, MC4R CHRM4 757/4885MCHR1 4/4885CHRM1 217/4885

“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.