SCHEMBL3869873

SCHEMBL3869873

CC(C)COc1ccc(C(=O)NCCc2ccc(CN3CCCC3C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
KDM4E B2RXH2 1/20 0.48
ACACB O00763 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
MCHR1 Q99705 2/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL3879784 0.91 HRH3 (0.51) HRH3KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL3867697 0.87 MCHR1 (0.57) HRH3KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL3870981 0.86 HRH3 (0.52) HRH3KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL3874012 0.86 HRH3 (0.61) HRH3SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3879860 0.84 MCHR1 (0.62) HRH3KDM4EACACBSMN1; SMN2CA12
SCHEMBL3875600 0.83 MCHR1 (0.63) HRH3KDM4EACACBSMN1; SMN2MAPT
SCHEMBL3867704 0.83 MCHR1 (0.63) HRH3KDM4EACACBSMN1; SMN2MAPT
SCHEMBL3868983 0.81 MCHR1 (0.67) HRH3SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3875592 0.80 KDM4E (0.59) KDM4EACACBSMN1; SMN2NPC1CA12
SCHEMBL3868853 0.80 MCHR1 (0.68) HRH3NPC1RAB9AMCHR1CYP2D6

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 HRH3 64/4885KDM4E 1415/4885ACACB 3183/4885

“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.