SCHEMBL734925

SCHEMBL734925

CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
NAMPT P43490 1/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL9942499 1.00 USP2 (0.44) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL733741 1.00 USP2 (0.44) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL24938934 0.94 HPGD (0.42) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL30744670 0.94 HPGD (0.42) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL18204175 0.90 NR1H2 (0.40) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL17499918 0.85 NR1H2 (0.43) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL2904469 0.85 USP2 (0.45) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL30186133 0.85 USP2 (0.45) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL5766899 0.84 USP2 (0.47) USP2SMN1; SMN2NR1H2HPGDMEN1
SCHEMBL5764149 0.84 USP2 (0.47) USP2SMN1; SMN2NR1H2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 US disclosed
EP-2491022-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2012-08-29 EP disclosed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2011048032-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 WO disclosed
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-21 US disclosed
EP-2307387-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 US disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 USP2 4741/4885SMN1; SMN2 4455/4885NR1H2 181/4885
US-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 USP2 4800/4885SMN1; SMN2 4301/4885NR1H2 135/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 USP2 4729/4885SMN1; SMN2 4376/4885NR1H2 222/4885
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR1 USP2 4760/4885SMN1; SMN2 3766/4885NR1H2 97/4885

“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.