Sugi Predict

Sugi Predict / Compounds / SCHEMBL322205

SCHEMBL322205

SCHEMBL322205

COC(=O)C[C@@H]1CC[C@@H](OC)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ TSHR P16473 3/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ HTR2A P28223 8/20 0.33
▸ DRD3 P35462 8/20 0.33
▸ DRD2 P14416 6/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ KCNQ3 O43525 2/20 0.32
▸ KCNQ2 O43526 2/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL10086737 1.00 BRD4 (0.41) BRD4TSHREPHX2HTR2ADRD3
SCHEMBL322206 1.00 BRD4 (0.41) BRD4TSHREPHX2HTR2ADRD3
SCHEMBL322204 1.00 BRD4 (0.41) BRD4TSHREPHX2HTR2ADRD3
SCHEMBL337580 0.89 BRD4 (0.39) BRD4TSHREPHX2KCNQ3KCNQ2
SCHEMBL10086750 0.89 BRD4 (0.39) BRD4TSHREPHX2KCNQ3KCNQ2
SCHEMBL337453 0.88 BRD4 (0.43) BRD4TSHREPHX2HTR2ADRD3
SCHEMBL337842 0.88 BRD4 (0.43) BRD4TSHREPHX2HTR2ADRD3
SCHEMBL10086748 0.88 BRD4 (0.43) BRD4TSHREPHX2HTR2ADRD3
SCHEMBL337760 0.85 BRD4 (0.39) BRD4TSHREPHX2HSD17B10MGAM
SCHEMBL337759 0.85 BRD4 (0.39) BRD4TSHREPHX2HSD17B10MGAM

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-8598357-B2 Benzodioxole piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2013-12-03 — — US disclosed
US-8586579-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-11-19 — — US disclosed
US-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 — — US disclosed
EP-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 — — EP disclosed
EP-2582705-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 — — EP disclosed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 — — EP disclosed
US-20130040948-A1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 — — US disclosed
US-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 — — US 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
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-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 — — US disclosed
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 — — 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 (5 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-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS HTR2A, HTR2C, HTR1D BRD4 471/4885TSHR 313/4885EPHX2 543/4885
US-20130040948-A1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS HTR2A, HTR2C, HTR5A BRD4 573/4885TSHR 278/4885EPHX2 497/4885
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A BRD4 1455/4885TSHR 162/4885EPHX2 2371/4885
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A BRD4 1223/4885TSHR 192/4885EPHX2 793/4885
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A BRD4 1159/4885TSHR 205/4885EPHX2 764/4885

“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.