SCHEMBL1728613

SCHEMBL1728613

O=c1n(-c2ccc(O)cc2)ccn1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
PARP10 Q53GL7 1/20 0.42
ACACB O00763 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL1728692 0.88 HRH3 (0.39) HRH3PARP10ACACB
SCHEMBL1837838 0.80 PARP10 (0.53) HRH3PARP10HPGDEPHX2ALDH1A1
SCHEMBL1728856 0.80 HRH3 (0.42) HRH3ADORA2AADORA2BGRM2
SCHEMBL1836444 0.79 PARP10 (0.52) HRH3PARP10HPGDEPHX2ALDH1A1
SCHEMBL1402272 0.79 PARP10 (0.52) HRH3PARP10HPGDEPHX2ALDH1A1
SCHEMBL1834840 0.79 PARP10 (0.52) HRH3PARP10HPGDEPHX2ALDH1A1
SCHEMBL4697494 0.79 HRH3 (0.43) HRH3PARP10ACACBADORA2AADORA2B
SCHEMBL4697492 0.79 HRH3 (0.43) HRH3PARP10ACACBADORA2AADORA2B
SCHEMBL1727555 0.79 HRH3 (0.41) HRH3ACACBADORA2AADORA2BALDH1A1
SCHEMBL6080987 0.78 ALDH1A1 (0.43) HRH3ACACBALDH1A1TSHR

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 4 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
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 HRH3 1710/4885PARP10 3656/4885ACACB 223/4885

“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.