SCHEMBL744204

SCHEMBL744204

CCOC(=O)c1cc(CC(O)CO)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.43
GABRG2 P18507 7/20 0.43
GABRB3 P28472 7/20 0.43
GABRA5 P31644 7/20 0.43
GABRA3 P34903 7/20 0.43
GABRA2 P47869 7/20 0.43
GABRA4 P48169 7/20 0.43
GABRA6 Q16445 7/20 0.43
GABRP O00591 6/20 0.43
GABRD O14764 6/20 0.43
GABRB1 P18505 6/20 0.43
GABRB2 P47870 6/20 0.43
GABRE P78334 6/20 0.43
GABRG1 Q8N1C3 6/20 0.43
GABRG3 Q99928 6/20 0.43
GABRQ Q9UN88 6/20 0.43
CYP1A2 P05177 1/20 0.42
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL2935704 0.83 CYP1A2 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16713440 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16713439 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9602508 0.80 CYP4F2 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15561947 0.80 SLC7A5 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15561946 0.80 SLC7A5 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL743556 0.80 KDM4E (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7008579 0.79 CYP1A2 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL480291 0.79 CYP4F2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL128612 0.79 CYP1A2 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
US-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
EP-2431365-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-03-21 EP disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
WO-2010131738-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF 日本たばこ産業株式会社 (JP) 2010-11-18 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-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP2C9, QDPR GABRA1 711/4885GABRG2 642/4885GABRB3 1632/4885

“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.