SCHEMBL2831333

SCHEMBL2831333

Clc1ccc2c(c1)N=C(NCCOc1ccccc1)NC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.46
▸ PIK3R1 P27986 1/20 0.46
▸ DRD2 P14416 5/20 0.42
▸ DRD4 P21917 5/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ GPR84 Q9NQS5 2/20 0.40
▸ WDR5 P61964 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ F2 P00734 3/20 0.37
▸ HTR7 P34969 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL2834307 0.86 WDR5 (0.47) DRD2DRD4DRD3WDR5NPC1
SCHEMBL13197320 0.86 DRD4 (0.44) PIK3CDPIK3R1DRD2DRD4DRD3
SCHEMBL1385145 0.85 DRD4 (0.41) PIK3CDPIK3R1DRD2DRD4DRD3
SCHEMBL1383557 0.85 DRD2 (0.47) PIK3CDPIK3R1DRD2DRD4F2
Iodide SCHEMBL2832467 0.85 DRD4 (0.43) PIK3CDPIK3R1DRD2DRD4DRD3
SCHEMBL2831761 0.84 ALDH1A1 (0.43) WDR5NPC1RAB9AALDH1A1
Iodide SCHEMBL2830536 0.84 DRD4 (0.40) PIK3CDPIK3R1DRD2DRD4DRD3
SCHEMBL1378985 0.79 F2 (0.43) DRD2DRD4DRD3GPR84F2
SCHEMBL1379308 0.79 HTR7 (0.40) DRD2GPR84SLC6A4F2HTR7
SCHEMBL1384251 0.78 DRD2 (0.44) DRD2DRD4DRD3GPR84NPC1

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
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-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 PIK3CD 4114/4885PIK3R1 4420/4885DRD2 147/4885

“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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