SCHEMBL1728536

SCHEMBL1728536

CNCCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.58
HTR1D P28221 1/20 0.58
KDM4E B2RXH2 2/20 0.49
LTA4H P09960 5/20 0.45
CACNA1B Q00975 1/20 0.44
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G2A P14555 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MCHR2 Q969V1 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL6082947 0.89 DRD4 (0.57) LTA4HDRD2DRD4DRD3PLA2G2A
SCHEMBL1727848 0.86 KDM4E (0.47) HTR1BHTR1DKDM4ELTA4HDRD2
SCHEMBL1729526 0.86 KDM4E (0.46) KDM4ELTA4HDRD2DRD4DRD3
SCHEMBL1728589 0.86 DRD2 (0.53) KDM4EDRD2DRD4DRD3MEN1
SCHEMBL6081354 0.85 DRD2 (0.56) KDM4EDRD2DRD4DRD3MEN1
SCHEMBL1728578 0.84 KDM4E (0.48) KDM4EDRD2DRD4DRD3
SCHEMBL6081375 0.83 KDM4E (0.52) KDM4ELTA4HMEN1ALDH1A1HTT
SCHEMBL1729079 0.83 GAA (0.62) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6081506 0.83 ALDH1A1 (0.46) KDM4ELTA4HMEN1ALDH1A1KMT2A
SCHEMBL1727501 0.82 LTA4H (0.45) LTA4HPLA2G2AMCHR2MCHR1

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-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed
EP-1551810-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT Aventis Pharma Deutschland GmbH (DE) 2005-07-13 EP disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
WO-2004012648-A2 SUBSTITUTED DIARYL HETEROCYCLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 WO disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 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-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 HTR1B 11/4885HTR1D 27/4885KDM4E 1242/4885

“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.