SCHEMBL3863288

SCHEMBL3863288

O=C(CCc1ccc(CN2CCCC2)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.73
MCHR1 Q99705 2/20 0.72
CHRM1 P11229 1/20 0.72
HTR2A P28223 1/20 0.72
L3MBTL1 Q9Y468 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 2/20 0.57
HRH3 Q9Y5N1 1/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.55
NPC1 O15118 2/20 0.54
TP53 P04637 1/20 0.53
CACNA1G O43497 1/20 0.53

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
SCHEMBL3872362 1.00 TNIK (0.73) TNIKMCHR1CHRM1HTR2AL3MBTL1
SCHEMBL3879260 0.85 MCHR1 (0.98) MCHR1CHRM1HTR2AKDM4EALDH1A1
SCHEMBL3861539 0.85 MCHR1 (0.98) MCHR1CHRM1HTR2AKDM4EALDH1A1
SCHEMBL3859161 0.84 MCHR1 (0.67) TNIKMCHR1CHRM1HTR2AKDM4E
SCHEMBL4009683 0.84 MCHR1 (1.00) MCHR1CHRM1HTR2AKDM4EALDH1A1
SCHEMBL3878387 0.81 GAA (0.76) TNIKMCHR1CHRM1HTR2AL3MBTL1
SCHEMBL3870604 0.81 MCHR1 (0.73) MCHR1CHRM1HTR2AKDM4EALDH1A1
SCHEMBL3859204 0.81 NPC1 (0.58) TNIKMCHR1CHRM1HTR2AL3MBTL1
SCHEMBL13440198 0.80 MEN1 (0.72) MCHR1CHRM1HTR2AALDH1A1HTT
SCHEMBL3585599 0.80 TP53 (0.78) L3MBTL1KDM4EALDH1A1HTTTDP1

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 10 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-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO 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 (2 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 TNIK 4677/4885MCHR1 4/4885CHRM1 217/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 TNIK 4738/4885MCHR1 1/4885CHRM1 103/4885

“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.