SCHEMBL4006785

SCHEMBL4006785

CCN(CC)CCOc1ccc(N(C)C(=O)COc2ccc(C(F)(F)F)cc2Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.55
MRGPRX4 Q96LA9 12/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.43
CYP2C19 P33261 1/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL13683779 0.87 MCHR1 (0.58) MCHR1MRGPRX4PTGDR2PPARDPPARA
SCHEMBL4010257 0.85 MCHR1 (0.54) MCHR1MRGPRX4PTGDR2PPARDPPARA
SCHEMBL3867215 0.83 MCHR1 (0.50) MCHR1MRGPRX4PTGDR2PPARDPPARA
SCHEMBL14209941 0.83 MCHR1 (0.50) MCHR1MRGPRX4PTGDR2PPARDPPARA
SCHEMBL4010353 0.80 KDR (0.52) MCHR1PPARDPPARACYP2C19KDR
SCHEMBL13683769 0.79 MCHR1 (0.71) MCHR1MRGPRX4
SCHEMBL4007957 0.77 KDR (0.47) MCHR1MRGPRX4KDR
SCHEMBL4015009 0.77 HRH3 (0.52) MCHR1PPARDPPARACYP2C19KDR
SCHEMBL4008962 0.76 MCHR1 (0.54) MCHR1KDR
SCHEMBL4008881 0.76 KDR (0.47) MCHR1PPARDPPARACYP2C19KDR

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 2/4885MRGPRX4 45/4885PTGDR2 708/4885

“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.