SCHEMBL1965586

SCHEMBL1965586

COC(=O)CN1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 4/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
TERT O14746 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5482515 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1WNT1GSK3B
SCHEMBL2663389 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1ATMMEN1KMT2A
SCHEMBL23291308 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HRH3WNT1GSK3B
SCHEMBL12379861 0.83 TSHR (0.46) SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL70778 0.83 TSHR (0.46) SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL1133592 0.83
SCHEMBL7575787 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A
SCHEMBL6740019 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A
SCHEMBL23833238 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A
SCHEMBL1968157 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US claimed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP claimed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO claimed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
US-7994176-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
EP-2334657-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20040072819-A1 Benzoxazepine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-04-15 US disclosed
US-6613761-B1 (3R,5S)-N- methanesulfonyl-7-chloro-5-(2,3-dimethoxyphenyl) -1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4, 1-benzoxazepine-3-acetamide, used as antilipemic agents and enzyme inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-0862562-B1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-04 EP disclosed
EP-1097928-A1 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics Takeda Chemical Industries, Ltd. (JP) 2001-05-09 EP disclosed
US-6110909-A SQUALENE SYNTHETASE INHIBITING ANTILIPEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-29 US disclosed
EP-0862562-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
WO-1997010224-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-20 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 (2 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-20040072819-A1 Benzoxazepine compounds, their production and use CES1, CETP, CYP46A1 SMN1; SMN2 4603/4885KDM4E 1106/4885ALDH1A1 1529/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SMN1; SMN2 4731/4885KDM4E 2435/4885ALDH1A1 3334/4885

“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.