SCHEMBL2834214

SCHEMBL2834214

Fc1ccc(OCCNC2=Nc3ccccc3CN2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 11/20 0.41
▸ ADRA1D P25100 6/20 0.41
▸ ADRA1A P35348 6/20 0.41
▸ ADRA1B P35368 6/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ DRD2 P14416 7/20 0.40
▸ HTR5A P47898 1/20 0.38
▸ DRD3 P35462 6/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ HTR1A P08908 4/20 0.37
▸ HTR2A P28223 4/20 0.37
▸ HRH1 P35367 3/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CACNA1B Q00975 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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 0.90 DRD4 (0.41) HTR7DRD2DRD3DRD4NPC1
Iodide SCHEMBL2830536 0.89 DRD4 (0.40) HTR7DRD2DRD3DRD4NPC1
SCHEMBL13197320 0.88 DRD4 (0.44) DRD2DRD3DRD4L3MBTL1NPC1
SCHEMBL2836954 0.88 DRD2 (0.44) DRD2DRD3DRD4L3MBTL1NPC1
SCHEMBL1384220 0.87 F2 (0.39) HTR1AF2
Iodide SCHEMBL2832467 0.87 DRD4 (0.43) DRD2DRD3DRD4L3MBTL1NPC1
SCHEMBL1379308 0.86 HTR7 (0.40) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL1383973 0.85 BRD4 (0.40) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL2835009 0.84 PPARG (0.43) DRD3HRH1TDP1NPC1RAB9A
SCHEMBL1383358 0.82 CYP11B1 (0.33) ADRA1DHTR1ANPC1RAB9A

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 HTR7 14/4885ADRA1D 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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