SCHEMBL4009725

SCHEMBL4009725

C=C(Oc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(CN(CC)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.45
MRGPRX4 Q96LA9 13/20 0.44
MCHR1 Q99705 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 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
SCHEMBL4008134 0.91 FFAR1 (0.43) CETPMRGPRX4MCHR1KMT2AFFAR1
SCHEMBL4010505 0.86 HRH3 (0.49) MRGPRX4MCHR1
SCHEMBL4011816 0.85 PPARD (0.46) MRGPRX4MCHR1
SCHEMBL4015066 0.85 KDR (0.45) MRGPRX4MCHR1
SCHEMBL4008041 0.83 NPC1 (0.53) CETPMRGPRX4KMT2AACHE
SCHEMBL4014337 0.82 MCHR1 (0.43) MRGPRX4MCHR1
SCHEMBL4014286 0.80 MRGPRX4 (0.42) CETPMRGPRX4MCHR1KMT2A
SCHEMBL13683747 0.80 AVPR2 (0.54) CETPMRGPRX4MCHR1MAPK1KMT2A
SCHEMBL3858066 0.75 ACACB (0.46) CETPMRGPRX4MCHR1MAPK1KMT2A
SCHEMBL14209944 0.75 MAPT (0.49) CETPMCHR1MAPK1KMT2AACHE

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-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-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 CETP 1290/4885MRGPRX4 45/4885MCHR1 2/4885

“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.