SCHEMBL3867716

SCHEMBL3867716

O=C(COc1ccc(CN2CCCC2)cc1Cl)Nc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.82
CHRM1 P11229 5/20 0.74
MCHR1 Q99705 5/20 0.74
HTR2A P28223 4/20 0.74
ALDH1A1 P00352 2/20 0.69
POLB P06746 1/20 0.69
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 2/20 0.60
PKM P14618 1/20 0.60
GAA P10253 2/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL3869862 0.90 MCHR1 (0.71) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL3869970 0.90 KDM4E (0.74) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL3872703 0.89 CHRM1 (0.70) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL3869748 0.86 CHRM1 (0.98) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL4014334 0.85 CHRM1 (1.00) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL28051599 0.82 ACHE (0.80) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL3868226 0.79 CHRM1 (0.74) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL27374650 0.78 MEN1 (0.84) ACHEALDH1A1MAPK1MAPTPKM
SCHEMBL3879260 0.78 MCHR1 (0.98) ACHECHRM1MCHR1HTR2AALDH1A1
SCHEMBL3861539 0.78 MCHR1 (0.98) ACHECHRM1MCHR1HTR2AALDH1A1

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 ACHE 3681/4885CHRM1 217/4885MCHR1 4/4885

“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.