SCHEMBL1379316

SCHEMBL1379316

COc1ccccc1OCCNC1=Nc2ccc(C)cc2CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ L3MBTL1 Q9Y468 7/20 0.42
▸ MAPT P10636 7/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL4 Q8NA19 1/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ HTR1A P08908 3/20 0.39
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MTNR1A P48039 1/20 0.38

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
SCHEMBL1382087 0.89 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AHTR1AADRA1D
SCHEMBL1383094 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1NPC1RAB9ATDP1
SCHEMBL1379940 0.88 RAB9A (0.44) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL1382723 0.88 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL1382684 0.88 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL1378985 0.85 F2 (0.43) ALDH1A1HTR1AADRA1AADRA1B
SCHEMBL2831761 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL1380917 0.80 L3MBTL1 (0.44) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL2831365 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1HTR1AADRA1DADRA1A
SCHEMBL1383623 0.79 TSHR (0.43) L3MBTL1SMN1; SMN2HTR1AADRA1DADRA1A

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 780/4885L3MBTL1 4172/4885MAPT 134/4885

“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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