SCHEMBL1729503

SCHEMBL1729503

CNCCN(C)c1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
CARM1 Q86X55 3/20 0.39
PRMT1 Q99873 2/20 0.39
PRMT6 Q96LA8 1/20 0.37
ACACB O00763 5/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GRM2 Q14416 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ACACA Q13085 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33

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 0.87 HRH3 (0.42) HRH3ACACBALDH1A1GRM2ADORA2A
SCHEMBL6081381 0.87 HRH3 (0.38) HRH3ACACBALDH1A1TSHRACACA
SCHEMBL1727555 0.86 HRH3 (0.41) HRH3ACACBALDH1A1TSHRGRM2
SCHEMBL6081379 0.84 HRH3 (0.40) HRH3ACACBALDH1A1GRM2ADORA2A
SCHEMBL1728644 0.83 HRH3 (0.42) HRH3CARM1PRMT6ACACBALDH1A1
SCHEMBL1728623 0.83 HRH3 (0.41) HRH3MEN1KMT2A
SCHEMBL1728684 0.83 HRH3 (0.39) HRH3ACACBALDH1A1ACACAKMT2A
SCHEMBL1728627 0.79 CYP19A1 (0.42) HRH3ALDH1A1ADORA2AADORA2B
SCHEMBL1728518 0.79 FFAR4 (0.42) HRH3GRM2
SCHEMBL1727671 0.79 HRH3 (0.38) HRH3ADORA2AADORA2B

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 1710/4885CARM1 1942/4885PRMT1 2324/4885

“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.