SCHEMBL2834166

SCHEMBL2834166

Clc1cccc(Cl)c1OCCNC1=Nc2ccccc2CN1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.38
▸ ADRA1D P25100 3/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ ADRA1B P35368 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32

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
SCHEMBL1380879 0.88 MEN1 (0.43) SMN1; SMN2ALDH1A1L3MBTL1WDR5HSD17B10
SCHEMBL2833485 0.84 SLC6A2 (0.33) WDR5
SCHEMBL1383623 0.83 TSHR (0.43) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL13197320 0.83 DRD4 (0.44) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1383557 0.82 DRD2 (0.47) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL1385145 0.82 DRD4 (0.41) SMN1; SMN2ALDH1A1
Iodide SCHEMBL2832467 0.82 DRD4 (0.43) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
Iodide SCHEMBL2830536 0.81 DRD4 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL13617358 0.80 TSHR (0.38) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL2831365 0.79 ALDH1A1 (0.40) HTR1AADRA1DADRA1AADRA1BKDM4E

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 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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