SCHEMBL3874079

SCHEMBL3874079

CC1CCCN1C(C)c1ccc(CCNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
TRPV1 Q8NER1 4/20 0.48
GCGR P47871 9/20 0.47
CHRM4 P08173 1/20 0.46
SCN9A Q15858 1/20 0.45
MCHR1 Q99705 1/20 0.43

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
SCHEMBL3875741 0.89 HRH3 (0.51) CHRM1HRH3GCGRCHRM4MCHR1
SCHEMBL3868746 0.89 KDM4E (0.51) OPRM1OPRD1OPRK1CHRM1HRH3
SCHEMBL3873978 0.87 MCHR1 (0.58) CHRM1HRH3CHRM4MCHR1
SCHEMBL3869698 0.86 MCHR1 (0.59) OPRM1OPRD1OPRK1CHRM1HRH3
SCHEMBL3873986 0.86 TRPV1 (0.53) OPRM1OPRD1OPRK1CHRM2CHRM1
SCHEMBL3867758 0.85 TRPV1 (0.52) OPRM1OPRD1OPRK1CHRM2CHRM1
SCHEMBL3871933 0.85 TRPV1 (0.52) OPRM1OPRD1OPRK1CHRM2CHRM1
SCHEMBL3879775 0.83 NPC1 (0.56) HRH3CHRM4
SCHEMBL3871721 0.83 NPC1 (0.47) OPRM1OPRD1OPRK1HRH3CHRM4
SCHEMBL3868881 0.82 TRPV1 (0.51) OPRM1OPRD1OPRK1CHRM2CHRM1

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 OPRM1 139/4885OPRD1 105/4885OPRK1 145/4885

“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.