SCHEMBL4009683

SCHEMBL4009683

O=C(CCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 1.00
CHRM1 P11229 7/20 1.00
HTR2A P28223 6/20 1.00
CACNA1G O43497 2/20 0.62
CYP2D6 P10635 1/20 0.59
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ACHE P22303 1/20 0.56
ATM Q13315 1/20 0.54
HRH3 Q9Y5N1 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
SCHEMBL3879260 0.99 MCHR1 (0.98) MCHR1CHRM1HTR2ACACNA1GCYP2D6
SCHEMBL3861539 0.99 MCHR1 (0.98) MCHR1CHRM1HTR2ACACNA1GCYP2D6
SCHEMBL3858644 0.88 MCHR1 (0.79) MCHR1CHRM1HTR2ACACNA1GHRH3
SCHEMBL3857461 0.88 MCHR1 (0.78) MCHR1CHRM1HTR2ACACNA1GCYP2D6
SCHEMBL3866378 0.86 MCHR1 (0.76) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL3866416 0.85 MCHR1 (0.74) MCHR1CHRM1HTR2ACACNA1GCYP2D6
SCHEMBL3865129 0.85 MCHR1 (0.74) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL3867112 0.85 MCHR1 (0.74) MCHR1CHRM1HTR2ACACNA1GCYP2D6
SCHEMBL3870604 0.85 MCHR1 (0.73) MCHR1CHRM1HTR2AKDM4EALDH1A1
SCHEMBL13656226 0.84 MCHR1 (0.73) MCHR1CHRM1HTR2ACACNA1GCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R MCHR1 2/4885CHRM1 124/4885HTR2A 219/4885

“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.