SCHEMBL2831365

SCHEMBL2831365

COc1cccc(OCCNC2=Nc3ccccc3CN2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ HTR1A P08908 12/20 0.39
▸ ADRA1D P25100 12/20 0.39
▸ ADRA1A P35348 12/20 0.39
▸ ADRA1B P35368 12/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL1383623 0.93 TSHR (0.43) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL1382684 0.91 ALDH1A1 (0.48) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL13617358 0.89 TSHR (0.38) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1380766 0.88 BRD4 (0.38) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL2829817 0.86 TSHR (0.35) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1381520 0.84 ALDH1A1 (0.43) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL2832891 0.84 DRD2 (0.41) ALDH1A1TSHRPOLBKDM4E
SCHEMBL1382723 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1POLBKDM4E
SCHEMBL2830140 0.82 L3MBTL1 (0.42) ALDH1A1HTR1AL3MBTL1TSHRKDM4E
SCHEMBL13617548 0.81 CYP1A2 (0.38) ALDH1A1HTR1A

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 ALDH1A1 780/4885HTR1A 4/4885ADRA1D 106/4885

“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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