SCHEMBL2831761

SCHEMBL2831761

COc1ccccc1OCCNC1=Nc2cc(Cl)ccc2CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ WDR5 P61964 1/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ ADRA1D P25100 3/20 0.40
▸ ADRA1A P35348 3/20 0.40
▸ ADRA1B P35368 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ HRH1 P35367 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 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
SCHEMBL2834307 0.89 WDR5 (0.47) ALDH1A1WDR5NPC1RAB9AMAPK1
SCHEMBL1382684 0.87 ALDH1A1 (0.48) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL2831333 0.84 PIK3CD (0.46) ALDH1A1WDR5NPC1RAB9A
SCHEMBL1383094 0.82 ALDH1A1 (0.44) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1382087 0.82 ALDH1A1 (0.44) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1379316 0.82 ALDH1A1 (0.44) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1382723 0.79 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2831365 0.78 ALDH1A1 (0.40) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1383623 0.78 TSHR (0.43) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL1381520 0.78 ALDH1A1 (0.43) ALDH1A1HTR1AADRA1DADRA1AADRA1B

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 780/4885WDR5 911/4885HTR1A 4/4885

“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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