SCHEMBL1728627

SCHEMBL1728627

CN(CCn1ccnc1)c1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
HRH3 Q9Y5N1 2/20 0.37
TBXAS1 P24557 1/20 0.36
MMP1 P03956 5/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
WDR5 P61964 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
QPCT Q16769 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL1727269 0.82 HRH3 (0.42) HRH3ADORA2AADORA2BALDH1A1
SCHEMBL1728623 0.82 HRH3 (0.41) HRH3
SCHEMBL1727671 0.82 HRH3 (0.38) CYP19A1HRH3ADORA2AADORA2BWDR5
SCHEMBL1727555 0.81 HRH3 (0.41) HRH3ADORA2AADORA2BALDH1A1
SCHEMBL6082261 0.80 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2MDM4TP53
SCHEMBL6081379 0.79 HRH3 (0.40) HRH3ADORA2AADORA2BALDH1A1
SCHEMBL1729503 0.79 HRH3 (0.40) HRH3ADORA2AADORA2BALDH1A1
SCHEMBL1728684 0.78 HRH3 (0.39) HRH3ALDH1A1
SCHEMBL6081381 0.76 HRH3 (0.38) HRH3ALDH1A1
SCHEMBL1728518 0.74 FFAR4 (0.42) HRH3

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-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
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

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 CYP19A1 285/4885CYP11B1 9/4885CYP11B2 7/4885

“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.