SCHEMBL1729079

SCHEMBL1729079

O=c1n(-c2ccc(OCCNCCc3ccccc3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
DRD4 P21917 10/20 0.53
DRD2 P14416 9/20 0.53
DRD3 P35462 9/20 0.53
TAAR1 Q96RJ0 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
S1PR1 P21453 4/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 1/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL1728525 0.94 DRD2 (0.59) GAADRD4DRD2DRD3TAAR1
SCHEMBL6082947 0.93 DRD4 (0.57) GAADRD4DRD2DRD3
SCHEMBL1728633 0.92 GAA (0.52) GAADRD4DRD2DRD3TAAR1
SCHEMBL1727387 0.90 MEN1 (0.53) GAADRD4DRD2DRD3TAAR1
SCHEMBL1728589 0.87 DRD2 (0.53) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL6081354 0.86 DRD2 (0.56) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL1728672 0.85 DRD2 (0.47) GAADRD4DRD2DRD3TAAR1
SCHEMBL6080989 0.84 DRD2 (0.50) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL1728536 0.83 HTR1B (0.58) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL1728578 0.82 KDM4E (0.48) DRD4DRD2DRD3

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 GAA 401/4885DRD4 323/4885DRD2 127/4885

“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.