SCHEMBL2829817

SCHEMBL2829817

COc1cccc(C#N)c1OCCNC1=Nc2ccccc2CN1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ ADRA1A P35348 7/20 0.34
▸ HTR1A P08908 5/20 0.34
▸ ADRA1D P25100 5/20 0.34
▸ ADRA1B P35368 5/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33

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 0.90 TSHR (0.43) TSHRL3MBTL1ADRA1AHTR1AADRA1D
SCHEMBL1382234 0.87 KDM4E (0.41) TSHRNPC1RAB9AHTR1AALDH1A1
SCHEMBL13617358 0.86 TSHR (0.38) TSHRL3MBTL1ADRA1AHTR1AADRA1D
SCHEMBL2831365 0.86 ALDH1A1 (0.40) TSHRL3MBTL1ADRA1AHTR1AADRA1D
SCHEMBL1380766 0.85 BRD4 (0.38) TSHRL3MBTL1ADRA1AHTR1AADRA1D
SCHEMBL1382684 0.83 ALDH1A1 (0.48) L3MBTL1NPC1RAB9AADRA1AHTR1A
SCHEMBL2834166 0.77 HTR1A (0.38) L3MBTL1ADRA1AHTR1AADRA1DADRA1B
SCHEMBL2832891 0.77 DRD2 (0.41) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1381520 0.77 ALDH1A1 (0.43) L3MBTL1ADRA1AHTR1AADRA1DADRA1B
SCHEMBL1382661 0.76 MTNR1A (0.43) TSHRADRA1AHTR1AADRA1DADRA1B

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 TSHR 148/4885L3MBTL1 4172/4885NPC1 1589/4885

“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.

Send feedback