SCHEMBL4005385

SCHEMBL4005385

CCN(CC)CCOc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
PPARD Q03181 4/20 0.47
PPARA Q07869 4/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
PPARG P37231 2/20 0.42
HTT P42858 1/20 0.42
AGER Q15109 1/20 0.42
ALK Q9UM73 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4592842 0.92 HRH3 (0.44) HRH3PPARDPPARAPOLBPPARG
SCHEMBL4014241 0.91 MRGPRX4 (0.47) HRH3PPARDPPARAPPARGMRGPRX4
SCHEMBL5109832 0.89 MRGPRX4 (0.49) HRH3PPARDPPARAPOLBMRGPRX4
SCHEMBL4015009 0.89 HRH3 (0.52) HRH3PPARDPPARACYP1A2CYP2C19
SCHEMBL4010353 0.85 KDR (0.52) PPARDPPARACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4014230 0.84 PPARD (0.50) HRH3PPARDPPARACYP1A2CYP2C19
SCHEMBL4007957 0.81 KDR (0.47) POLBMRGPRX4ALDH1A1KDM4E
SCHEMBL4004899 0.81 CYP1A2 (0.51) HRH3CYP1A2CYP2C19SMN1; SMN2HTT
SCHEMBL4010419 0.81 KDM4E (0.49) PPARDPPARACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4008962 0.81 MCHR1 (0.54) SMN1; SMN2HTTKDM4E

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
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
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

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 HRH3 80/4885PPARD 1117/4885PPARA 689/4885

“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.