SCHEMBL1728644

SCHEMBL1728644

CNCCOc1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
KDM4E B2RXH2 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
MCHR1 Q99705 1/20 0.39
ACACB O00763 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL1727849 0.88 KDM4E (0.43) HRH3KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL6081508 0.88 KDM4E (0.50) HRH3KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL6081904 0.87 HRH3 (0.42) HRH3KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL1727601 0.87 KDM4E (0.52) HRH3KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL6081179 0.86 HRH3 (0.41) HRH3KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL1728856 0.84 HRH3 (0.42) HRH3MCHR1GRM2
SCHEMBL1728688 0.83 LSS (0.48) HRH3CYP1A2CYP2D6CYP2C19MCHR1
SCHEMBL1729503 0.83 HRH3 (0.40) HRH3ALDH1A1CARM1PRMT6ACACB
SCHEMBL1729087 0.82 MAPK14 (0.51) HRH3KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL1729760 0.82 LSS (0.47) HRH3CYP1A2CYP2D6CYP2C19MCHR1

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 HRH3 1710/4885KDM4E 1242/4885CYP1A2 365/4885

“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.