SCHEMBL4009130

SCHEMBL4009130

O=C(O)CNc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.46
SCN5A Q14524 2/20 0.46
FFAR1 O14842 2/20 0.46
CYP2C9 P11712 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
DRD3 P35462 1/20 0.42
DHODH Q02127 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
IGF2BP2 Q9Y6M1 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
SCHEMBL28567459 0.81 TDP1 (0.57) POLBALDH1A1GAAAKR1C2LMNA
SCHEMBL7516309 0.79 ALDH1A1 (0.62) ALDH1A1DHODHAKR1C2LMNAMAPT
SCHEMBL7516302 0.79 ALDH1A1 (0.62) ALDH1A1DHODHAKR1C2LMNAMAPT
SCHEMBL27636088 0.78 PPARA (0.43) FFAR4SCN5AFFAR1CYP2C9MRGPRX4
SCHEMBL31645577 0.76 TDP1 (0.44) FFAR4SCN5AFFAR1CYP2C9MRGPRX4
SCHEMBL17310837 0.75 TDP1 (0.60) FFAR4SCN5AFFAR1CYP2C9MRGPRX4
SCHEMBL1797885 0.75 POLB (0.66) POLBALDH1A1GAATRPV1MAPT
Hydrochloric Acid SCHEMBL4370823 0.75 CA1 (0.41) SCN5ACYP2C9MRGPRX4POLBALDH1A1
Hydrochloric Acid SCHEMBL7471077 0.75 POLB (0.66) POLBALDH1A1GAATRPV1MAPT
SCHEMBL5841965 0.75 MRGPRX4 (0.54) MRGPRX4POLBALDH1A1GAALMNA

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 6 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
CN-1708476-A Novel amide compounds having MCH-antagonistic action and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN 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 FFAR4 198/4885SCN5A 3650/4885FFAR1 140/4885

“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.