SCHEMBL2969047

SCHEMBL2969047

CC(C)N1CCC(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
HRH3 Q9Y5N1 7/20 0.40
KCNH2 Q12809 1/20 0.40
OGA O60502 2/20 0.40
CASP8 Q14790 1/20 0.40
PDE4B Q07343 1/20 0.38
PDE7A Q13946 1/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LDHA P00338 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10253093 0.84 CASP8 (0.42) GSK3BDYRK1ACASP8L3MBTL1LDHA
SCHEMBL2973357 0.82 CASP3 (0.47) GSK3BDYRK1AHRH3OGACASP8
SCHEMBL1141577 0.82 CASP8 (0.49) CASP8L3MBTL1LDHAALDH1A1
SCHEMBL24978623 0.81 CASP8 (0.42) GSK3BDYRK1ACASP8L3MBTL1LDHA
SCHEMBL2952296 0.81 CASP8 (0.42) CASP8L3MBTL1LDHAALDH1A1
SCHEMBL1043609 0.81 PDE4B (0.43) CASP8PDE4BPDE7AALDH1A1
SCHEMBL10037325 0.81 CASP8 (0.40) CASP8L3MBTL1LDHAALDH1A1
SCHEMBL10068465 0.81 SMN1; SMN2 (0.48) GSK3BDYRK1ACASP8L3MBTL1LDHA
SCHEMBL24362835 0.79 CASP8 (0.45) CASP8L3MBTL1LDHAALDH1A1
SCHEMBL2143075 0.79 CASP8 (0.47) CASP8L3MBTL1LDHAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 CN claimed
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP claimed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US claimed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
US-7786143-B2 Thiazolyl piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP disclosed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US 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-20070043083-A1 Thiazolyl piperidine derivatives HRH3, HRH4, H1-3 GSK3B 2584/4885DYRK1A 2393/4885HRH3 1/4885

“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.