SCHEMBL6081379

SCHEMBL6081379

CN(CCN(C)C1CC1)c1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
GRM2 Q14416 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
MCHR1 Q99705 2/20 0.34
KCNH2 Q12809 1/20 0.34
ACACB O00763 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 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 0.90 HRH3 (0.42) HRH3GRM2ADORA2AADORA2BMCHR1
SCHEMBL1727555 0.86 HRH3 (0.41) HRH3GRM2ADORA2AADORA2BACACB
SCHEMBL1728684 0.85 HRH3 (0.39) HRH3ACACBALDH1A1
SCHEMBL1729503 0.84 HRH3 (0.40) HRH3GRM2ADORA2AADORA2BACACB
SCHEMBL14446163 0.83 HRH3 (0.40) HRH3GRM2ADORA2AADORA2BMCHR1
SCHEMBL1728623 0.83 HRH3 (0.41) HRH3MCHR1
SCHEMBL6081381 0.81 HRH3 (0.38) HRH3MCHR1ACACBALDH1A1
SCHEMBL1728627 0.79 CYP19A1 (0.42) HRH3ADORA2AADORA2BALDH1A1
SCHEMBL14446175 0.79 HRH3 (0.39) HRH3GRM2ADORA2AADORA2BMCHR1
SCHEMBL1728518 0.79 FFAR4 (0.42) HRH3GRM2

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
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 1710/4885GRM2 337/4885ADORA2A 269/4885

“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.