SCHEMBL3870522

SCHEMBL3870522

O=C(Cc1ccc(CN2CCCC2)cc1)NCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.68
CHRM1 P11229 6/20 0.68
HTR2A P28223 5/20 0.68
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
BACE1 P56817 1/20 0.60
CYP2D6 P10635 1/20 0.59
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
PPARA Q07869 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ERCC1 P07992 1/20 0.52

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
SCHEMBL3879688 1.00 MCHR1 (0.68) MCHR1CHRM1HTR2AGAASMN1; SMN2
SCHEMBL3875733 0.84 L3MBTL1 (0.62) MCHR1CHRM1HTR2AGAASMN1; SMN2
SCHEMBL3869011 0.84 L3MBTL1 (0.62) MCHR1CHRM1HTR2AGAASMN1; SMN2
SCHEMBL16082991 0.81 ALDH1A1 (0.83) GAASMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL5113946 0.81 MCHR1 (1.00) MCHR1CHRM1HTR2ASMN1; SMN2CYP2D6
SCHEMBL3863299 0.79 MCHR1 (0.74) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL9615508 0.79 L3MBTL1 (0.62) MCHR1CHRM1HTR2AGAASMN1; SMN2
SCHEMBL21392801 0.79 NCF1 (0.56) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4563060 0.78 ALDH1A1 (0.61) MCHR1CHRM1HTR2AGAASMN1; SMN2
SCHEMBL3861763 0.78 MCHR1 (0.76) 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.