SCHEMBL4007919

SCHEMBL4007919

CCOC(COc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2Cl)cc1Cl)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RORC P51449 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MRGPRX4 Q96LA9 5/20 0.43
CYP2D6 P10635 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
SCHEMBL4008116 0.86 MEN1 (0.64) MEN1KMT2ARORCSMN1; SMN2LMNA
SCHEMBL4009877 0.82 MEN1 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL14209933 0.81 MEN1 (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL4015603 0.80 NPC1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL4008040 0.80 MEN1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL4005396 0.80 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4008986 0.80 NPC1 (0.55) MEN1KMT2ALMNAL3MBTL1NPC1
SCHEMBL4010353 0.80 KDR (0.52) MEN1KMT2ARORCSMN1; SMN2LMNA
SCHEMBL4010419 0.80 KDM4E (0.49) MEN1KMT2ARORCSMN1; SMN2LMNA
SCHEMBL4008897 0.79 KMT2A (0.47) MEN1KMT2ARORCSMN1; SMN2LMNA

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 MEN1 1225/4885KMT2A 571/4885RORC 1100/4885

“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.