SCHEMBL4011356

SCHEMBL4011356

CCN(CC)CCNc1ccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
RORC P51449 1/20 0.43
MCHR1 Q99705 12/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5115620 1.00 ALDH1A1 (0.45) ALDH1A1CTDSP1RORCMCHR1MAPT
SCHEMBL4009588 0.85 MCHR1 (0.45) ALDH1A1CTDSP1MCHR1MAPTSMN1; SMN2
SCHEMBL4009582 0.85 MCHR1 (0.45) ALDH1A1CTDSP1MCHR1MAPTSMN1; SMN2
SCHEMBL5108453 0.84 MAPT (0.45) ALDH1A1CTDSP1MCHR1MAPTSMN1; SMN2
SCHEMBL4010216 0.84 MAPT (0.45) ALDH1A1CTDSP1MCHR1MAPTSMN1; SMN2
SCHEMBL4015926 0.84 MAPT (0.46) MCHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5106078 0.84 MAPT (0.46) MCHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14209947 0.83 MEN1 (0.47) ALDH1A1MCHR1MAPTSMN1; SMN2MEN1
SCHEMBL14209957 0.83 BCHE (0.49) ALDH1A1MCHR1MAPTSMN1; SMN2MEN1
SCHEMBL4006797 0.83 KDR (0.50) ALDH1A1MCHR1MAPTSMN1; SMN2MEN1

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 8 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-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-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 ALDH1A1 4267/4885CTDSP1 4602/4885RORC 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.