SCHEMBL3857461

SCHEMBL3857461

O=C(CCc1ccc(CN2CCC3(CCCC3)CC2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.78
CHRM1 P11229 7/20 0.78
HTR2A P28223 6/20 0.78
CACNA1G O43497 4/20 0.57
ATM Q13315 1/20 0.49
CYP2D6 P10635 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3861539 0.89 MCHR1 (0.98) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL3879260 0.89 MCHR1 (0.98) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL4009683 0.88 MCHR1 (1.00) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL3867112 0.87 MCHR1 (0.74) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL3858644 0.83 MCHR1 (0.79) MCHR1CHRM1HTR2ACACNA1GNPC1
SCHEMBL3866378 0.81 MCHR1 (0.76) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL3865129 0.80 MCHR1 (0.74) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL3859312 0.80 CHRM1 (0.79) MCHR1CHRM1HTR2ARAB9A
SCHEMBL3859310 0.80 CHRM1 (0.79) MCHR1CHRM1HTR2ARAB9A
SCHEMBL3866815 0.80 MCHR1 (0.72) MCHR1CHRM1HTR2ACACNA1GATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US 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 (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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MCHR1 1/4885CHRM1 103/4885HTR2A 565/4885

“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.