SCHEMBL4592842

SCHEMBL4592842

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
PPARD Q03181 4/20 0.43
PPARA Q07869 3/20 0.43
MRGPRX4 Q96LA9 3/20 0.41
POLB P06746 2/20 0.41
PPARG P37231 2/20 0.40
HTT P42858 1/20 0.40
AGER Q15109 1/20 0.40
MCHR1 Q99705 1/20 0.40
LCK P06239 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL4005385 0.92 HRH3 (0.50) HRH3PPARDPPARAMRGPRX4POLB
SCHEMBL4014241 0.89 MRGPRX4 (0.47) HRH3PPARDPPARAMRGPRX4PPARG
SCHEMBL5109832 0.86 MRGPRX4 (0.49) HRH3PPARDPPARAMRGPRX4POLB
SCHEMBL4015009 0.86 HRH3 (0.52) HRH3PPARDPPARAMCHR1LCK
SCHEMBL4010353 0.82 KDR (0.52) PPARDPPARAHTTMCHR1
SCHEMBL4014230 0.82 PPARD (0.50) HRH3PPARDPPARAPPARG
SCHEMBL4007957 0.79 KDR (0.47) MRGPRX4POLBMCHR1ALDH1A1
SCHEMBL4004899 0.79 CYP1A2 (0.51) HRH3HTTMCHR1
SCHEMBL4010419 0.79 KDM4E (0.49) PPARDPPARAHTT
SCHEMBL4008881 0.79 KDR (0.47) HRH3PPARDPPARAMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HRH3 89/4885PPARD 1017/4885PPARA 594/4885

“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.