SCHEMBL2832891

SCHEMBL2832891

Cc1ccccc1OCCNC1=Nc2ccccc2CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD3 P35462 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ NISCH Q9Y2I1 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 2/20 0.37

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
SCHEMBL1382684 0.88 ALDH1A1 (0.48) DRD2SMN1; SMN2MAPTHSD17B10CYP2C19
SCHEMBL1381520 0.88 ALDH1A1 (0.43) SMN1; SMN2MAPTHTTHSD17B10LMNA
SCHEMBL2830140 0.86 L3MBTL1 (0.42) MAPTHSD17B10TSHRCYP2C19CYP1A2
SCHEMBL1380879 0.85 MEN1 (0.43) DRD2DRD4DRD3SMN1; SMN2HSD17B10
SCHEMBL1383973 0.85 BRD4 (0.40) SMN1; SMN2RECQLCYP2C19CYP1A2CYP3A4
SCHEMBL13617548 0.85 CYP1A2 (0.38) DRD2LMNARECQLCYP2C19CYP1A2
SCHEMBL1382894 0.85 LMNA (0.39) SMN1; SMN2MAPTHTTLMNACYP2C19
SCHEMBL1379648 0.85 HTR7 (0.33) DRD2ALDH1A1HTR6NPC1RAB9A
SCHEMBL2837273 0.85 ALDH1A1 (0.43) SMN1; SMN2MAPTLMNARECQLCYP2C19
SCHEMBL2834284 0.85 KDM4E (0.44) SMN1; SMN2MAPTHTTLMNAALDH1A1

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 8 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-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 DRD2 147/4885DRD4 208/4885DRD3 202/4885

“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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