SCHEMBL2835009

SCHEMBL2835009

c1ccc2c(c1)CNC(NCCOc1ccc3ccccc3c1)=N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ DRD3 P35462 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SLC6A2 P23975 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ HRAS P01112 1/20 0.37
▸ KRAS P01116 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
SCHEMBL1385145 0.86 DRD4 (0.41) NPC1MAPTRAB9ADRD3SMN1; SMN2
Iodide SCHEMBL2830536 0.85 DRD4 (0.40) NPC1MAPTRAB9ADRD3SMN1; SMN2
SCHEMBL2834214 0.84 HTR7 (0.41) TDP1NPC1RAB9ADRD3F2
SCHEMBL2836954 0.84 DRD2 (0.44) KDM4EMAPK1NPC1RAB9ADRD3
SCHEMBL13197320 0.84 DRD4 (0.44) PPARGNPC1MAPTRAB9ADRD3
SCHEMBL1383557 0.84 DRD2 (0.47) MAPK1HTTHRH3SMN1; SMN2F2
SCHEMBL1384220 0.84 F2 (0.39) SLC6A2SLC6A4F2SLC6A3
SCHEMBL1380229 0.84 F2 (0.53) TDP1KDM4EMAPK1MAPTRAB9A
SCHEMBL1382661 0.84 MTNR1A (0.43) PPARGTDP1MAPK1MAPTHTT
Iodide SCHEMBL2832467 0.83 DRD4 (0.43) PPARGNPC1MAPTRAB9ADRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781441-B2 (3,4-dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. (US) 2010-08-24 — — US disclosed
US-7781441-B2 (3,4-dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. (US) 2010-08-24 — — US disclosed
US-7781441-B2 (3,4-dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. (US) 2010-08-24 — — US disclosed
EP-1888538-B1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR HOFFMANN LA ROCHE (CH) 2009-11-18 — — EP disclosed
EP-1888538-B1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR HOFFMANN LA ROCHE (CH) 2009-11-18 — — EP disclosed
EP-1888538-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. Hoffmann-Roche AG (CH) 2008-02-20 — — EP disclosed
US-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. 2006-11-09 — — US disclosed
WO-2006117305-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 — — 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-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HTR5A, NPY5R, HTR3A PPARG 2716/4885TDP1 1264/4885KDM4E 1735/4885

“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.

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