SCHEMBL4014334

SCHEMBL4014334

O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 1.00
MCHR1 Q99705 5/20 1.00
HTR2A P28223 4/20 1.00
GAA P10253 2/20 0.75
ACHE P22303 1/20 0.68
POLB P06746 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HRH3 Q9Y5N1 2/20 0.59
USP2 O75604 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL3869748 0.99 CHRM1 (0.98) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL3867716 0.85 ACHE (0.82) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL3868226 0.85 CHRM1 (0.74) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL3878387 0.85 GAA (0.76) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL3875726 0.83 MCHR1 (0.71) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL3869970 0.83 KDM4E (0.74) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL3869862 0.83 MCHR1 (0.71) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL4009683 0.82 MCHR1 (1.00) CHRM1MCHR1HTR2AACHEALDH1A1
SCHEMBL3872703 0.82 CHRM1 (0.70) CHRM1MCHR1HTR2AGAAACHE
SCHEMBL3875635 0.82 MCHR1 (0.69) CHRM1MCHR1HTR2AGAAPOLB

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 7 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
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 CHRM1 124/4885MCHR1 2/4885HTR2A 219/4885

“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.