SCHEMBL3870076

SCHEMBL3870076

CC(c1ccc(CCNC(=O)c2ccc(OCC3CC3)cc2)cc1)N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.55
CHRM4 P08173 1/20 0.54
ADAM17 P78536 1/20 0.47
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SLC1A2 P43004 1/20 0.44
KCNH2 Q12809 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ACACB O00763 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
SCHEMBL3878504 0.92 CHRM4 (0.56) MCHR1CHRM4ADAM17NPC1SMN1; SMN2
SCHEMBL3872727 0.91 CHRM4 (0.55) MCHR1CHRM4ADAM17NPC1SMN1; SMN2
SCHEMBL3872708 0.91 CHRM4 (0.55) MCHR1CHRM4ADAM17NPC1SMN1; SMN2
SCHEMBL3881255 0.91 CHRM4 (0.57) MCHR1CHRM4NPC1SMN1; SMN2RAB9A
SCHEMBL3869079 0.87 CHRM4 (0.50) CHRM4NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL3879408 0.86 ALDH1A1 (0.52) CHRM4NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL3868753 0.85 CHRM4 (0.67) CHRM4ADAM17NPC1SMN1; SMN2RAB9A
SCHEMBL3869115 0.84 SMN1; SMN2 (0.59) MCHR1CHRM4NPC1SMN1; SMN2RAB9A
SCHEMBL3879855 0.83 KDM4E (0.54) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL3871721 0.83 NPC1 (0.47) MCHR1CHRM4ADAM17NPC1SMN1; 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 4/4885CHRM4 757/4885ADAM17 4838/4885

“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.