SCHEMBL3868263

SCHEMBL3868263

O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(OCCC2CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.60
CHRM1 P11229 2/20 0.60
CYP2D6 P10635 1/20 0.60
HTR2A P28223 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.56
CHRM4 P08173 2/20 0.55
HRH3 Q9Y5N1 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ACHE P22303 2/20 0.51
NPC1 O15118 1/20 0.50
CHRM2 P08172 1/20 0.50

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
SCHEMBL3868882 0.99 MCHR1 (0.61) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2
SCHEMBL3871958 0.99 MCHR1 (0.61) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2
SCHEMBL3870145 0.91 SMN1; SMN2 (0.57) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2
SCHEMBL3881263 0.89 MCHR1 (0.62) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2
SCHEMBL3879870 0.88 MCHR1 (0.63) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2
SCHEMBL3869715 0.88 MCHR1 (0.63) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2
SCHEMBL3867744 0.86 NPC1 (0.67) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2
SCHEMBL3870981 0.85 HRH3 (0.52) MCHR1SMN1; SMN2KDM4ECHRM4HRH3
SCHEMBL3871674 0.85 NPC1 (0.49) SMN1; SMN2KDM4ECHRM4HRH3MEN1
SCHEMBL6705925 0.84 MCHR1 (0.61) MCHR1CHRM1CYP2D6HTR2ASMN1; SMN2

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 217/4885CYP2D6 978/4885

“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.