SCHEMBL4014945

SCHEMBL4014945

O=C(/C=C/c1ccc(C(F)(F)F)cc1Cl)Nc1ccc(CCCO)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MCHR1 Q99705 9/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 3/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5102537 1.00 MAPT (0.43) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL4015372 0.91 MAPT (0.43) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL5108851 0.91 MAPT (0.43) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL5108453 0.88 MAPT (0.45) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL4010216 0.88 MAPT (0.45) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL4009588 0.84 MCHR1 (0.45) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL4009582 0.84 MCHR1 (0.45) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL5106078 0.83 MAPT (0.46) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL4015926 0.83 MAPT (0.46) MAPTSMN1; SMN2TP53THRBMCHR1
SCHEMBL14209942 0.82 MAPT (0.40) MAPTSMN1; SMN2TP53THRBMCHR1

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 MAPT 4346/4885SMN1; SMN2 2811/4885TP53 4802/4885

“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.