SCHEMBL2830994

SCHEMBL2830994

c1ccc(Oc2ccccc2OCCNC2=Nc3ccccc3CN2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ ADRB2 P07550 3/20 0.33
▸ F2 P00734 1/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.30

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 0.88 DRD4 (0.41) ALDH1A1DRD2DRD4DRD3SMN1; SMN2
Iodide SCHEMBL2830536 0.87 DRD4 (0.40) ALDH1A1F2DRD2DRD4DRD3
SCHEMBL1381959 0.86 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BSLC6A2
SCHEMBL1381520 0.86 ALDH1A1 (0.43) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL1382684 0.86 ALDH1A1 (0.48) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2832891 0.83 DRD2 (0.41) ALDH1A1DRD2DRD4DRD3CYP2D6
SCHEMBL13617548 0.83 CYP1A2 (0.38) HTR1AALDH1A1ADRB2DRD2
SCHEMBL1383973 0.83 BRD4 (0.40) ALDH1A1CYP2D6KDM4ESMN1; SMN2RAB9A
SCHEMBL1382894 0.83 LMNA (0.39) HTR1AALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL1380879 0.83 MEN1 (0.43) ALDH1A1DRD2DRD4DRD3CYP2D6

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 HTR1A 4/4885ADRA1D 106/4885ADRA1A 112/4885

“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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