SCHEMBL1381959

SCHEMBL1381959

c1ccc(COc2ccccc2OCCNC2=Nc3ccccc3CN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 14/20 0.46
▸ ADRA1D P25100 13/20 0.46
▸ ADRA1A P35348 13/20 0.46
▸ ADRA1B P35368 13/20 0.46
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LTA4H P09960 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 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
SCHEMBL2832624 0.86 HRH1 (0.50) HTR1AADRA1DADRA1AADRA1B
SCHEMBL2830994 0.86 HTR1A (0.35) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL1381520 0.86 ALDH1A1 (0.43) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL1382684 0.86 ALDH1A1 (0.48) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL1382894 0.83 LMNA (0.39) HTR1AKDM4E
SCHEMBL2832891 0.83 DRD2 (0.41) KDM4ETDP1
SCHEMBL1380879 0.83 MEN1 (0.43) —
SCHEMBL2834284 0.83 KDM4E (0.44) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL1384273 0.83 CCR3 (0.35) SLC6A2SLC6A4
SCHEMBL1385145 0.83 DRD4 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4796624-B2 — — 2011-10-19 — — JP claimed
US-7781441-B2 (3,4-dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. (US) 2010-08-24 — — US claimed
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 claimed
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 claimed
US-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. 2006-11-09 — — US claimed
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 claimed
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 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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