SCHEMBL321549

SCHEMBL321549

CC(C)(C)N(C(=O)O)C1CCC(CC=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL321550 1.00 THRA (0.31) THRATHRBHSD11B1
SCHEMBL27557074 0.84
SCHEMBL527479 0.83 DPP4 (0.30)
SCHEMBL31708245 0.83 EPHX1 (0.31)
SCHEMBL482043 0.82 NR1H2 (0.33)
SCHEMBL343055 0.82 NR1H2 (0.33)
SCHEMBL482044 0.82 NR1H2 (0.33)
SCHEMBL16525254 0.82
SCHEMBL16525252 0.82
SCHEMBL23826916 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947310-B Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN disclosed
EP-2675798-B1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
EP-2590984-B1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-01-28 EP disclosed
US-8921397-B2 Benzofurane-piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 US disclosed
US-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US disclosed
EP-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8722683-B2 Benzodioxole piperazine compounds HOFFMANN LA-ROCHE INC. (US) 2014-05-13 US disclosed
EP-2704707-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-03-12 EP disclosed
EP-2680840-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
EP-2675798-A1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-25 EP disclosed
WO-2012110470-A1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-23 WO disclosed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US disclosed
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 US disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-15 US disclosed
EP-1824483-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050239-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-05-11 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 (4 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-20120157449-A1 BENZOFURANE COMPOUNDS HTR3A, HTR3C, HTR2A THRA 520/4885THRB 492/4885HSD11B1 1297/4885
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 THRA 277/4885THRB 180/4885HSD11B1 3554/4885
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A THRA 412/4885THRB 658/4885HSD11B1 1599/4885
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A THRA 498/4885THRB 795/4885HSD11B1 1727/4885

“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.