SCHEMBL4014241

SCHEMBL4014241

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.47
PPARD Q03181 3/20 0.45
PPARA Q07869 2/20 0.45
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.41
MAOB P27338 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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 0.91 HRH3 (0.50) MRGPRX4PPARDPPARAHRH3KDM4E
SCHEMBL5109832 0.91 MRGPRX4 (0.49) MRGPRX4PPARDPPARAHRH3MEN1
SCHEMBL4592842 0.89 HRH3 (0.44) MRGPRX4PPARDPPARAHRH3PPARG
SCHEMBL4015009 0.86 HRH3 (0.52) PPARDPPARAHRH3MEN1KMT2A
SCHEMBL4008980 0.84 MCHR1 (0.49) MRGPRX4MEN1KMT2AKDM4E
SCHEMBL4010353 0.82 KDR (0.52) PPARDPPARAMEN1KMT2AKDM4E
SCHEMBL4014230 0.81 PPARD (0.50) PPARDPPARAHRH3MEN1KMT2A
SCHEMBL4007957 0.79 KDR (0.47) MRGPRX4MEN1KMT2AKDM4EMAPT
SCHEMBL4004899 0.78 CYP1A2 (0.51) HRH3MEN1KMT2AKDM4EMAPT
SCHEMBL4010419 0.78 KDM4E (0.49) PPARDPPARAMEN1KMT2ATDP1

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 MRGPRX4 45/4885PPARD 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.