SCHEMBL1382087

SCHEMBL1382087

COc1ccc2c(c1)CNC(NCCOc1ccccc1OC)=N2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ ADRB2 P07550 3/20 0.40
▸ EGFR P00533 2/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ ADRB1 P08588 1/20 0.36
▸ SYK P43405 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
SCHEMBL1380917 0.91 L3MBTL1 (0.44) ALDH1A1EGFRNPC1RAB9A
SCHEMBL1379316 0.89 ALDH1A1 (0.44) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1383094 0.89 ALDH1A1 (0.44) ALDH1A1EGFRHTR1AADRA1DADRA1A
SCHEMBL1384251 0.89 DRD2 (0.44) ALDH1A1EGFRGAANPC1RAB9A
SCHEMBL1382684 0.88 ALDH1A1 (0.48) ALDH1A1ADRB2HTR1AADRA1DADRA1A
SCHEMBL2831761 0.82 ALDH1A1 (0.43) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1382661 0.80 MTNR1A (0.43) HTR1AADRA1DADRA1AADRA1BMTNR1A
SCHEMBL1382723 0.80 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASYK
SCHEMBL2831365 0.79 ALDH1A1 (0.40) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1383623 0.79 TSHR (0.43) HTR1AADRA1DADRA1AADRA1BGAA

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 13 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-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 780/4885ADRB2 103/4885EGFR 688/4885

“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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