SCHEMBL4015066

SCHEMBL4015066

C=C(Oc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(OCCCN(CC)CC)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
PPARD Q03181 3/20 0.43
PPARA Q07869 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MCHR1 Q99705 2/20 0.41
RORC P51449 1/20 0.41
MRGPRX4 Q96LA9 7/20 0.41
ALDH1A1 P00352 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PPARG P37231 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
SCHEMBL4011816 0.93 PPARD (0.46) PPARDPPARAKDM4EMCHR1MRGPRX4
SCHEMBL4014337 0.90 MCHR1 (0.43) KDRPPARDPPARAHTR2AHTR2C
SCHEMBL4010505 0.88 HRH3 (0.49) KDRPPARDPPARAMCHR1MRGPRX4
SCHEMBL4008134 0.86 FFAR1 (0.43) MCHR1MRGPRX4ALDH1A1CTDSP1
SCHEMBL4009725 0.85 CETP (0.45) MCHR1MRGPRX4
SCHEMBL4010419 0.85 KDM4E (0.49) KDRPPARDPPARAKDM4EHTR2A
SCHEMBL4010353 0.81 KDR (0.52) KDRPPARDPPARAKDM4EHTR2A
SCHEMBL13683757 0.80 KDR (0.56) KDRMCHR1MRGPRX4
SCHEMBL14209957 0.80 BCHE (0.49) KDRPPARDPPARAKDM4EMCHR1
SCHEMBL13683436 0.80 MAOA (0.44) KDRPPARDPPARAKDM4EHTR2A

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
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 KDR 4188/4885PPARD 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.