SCHEMBL2982276

SCHEMBL2982276

CC(C)CN1CCC(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
VCP P55072 1/20 0.39
DRD3 P35462 1/20 0.37
GRM2 Q14416 1/20 0.37
MPL P40238 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CYP2C8 P10632 2/20 0.36
CYP2C9 P11712 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
MCHR1 Q99705 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL2972744 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SPHK2SPHK1VCP
SCHEMBL2977127 0.79 L3MBTL1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2SPHK2SPHK1
SCHEMBL4262112 0.77 HPGDS (0.53) L3MBTL1SPHK2SPHK1VCPMPL
SCHEMBL2986383 0.77 MPL (0.52) ALDH1A1SMN1; SMN2SPHK2SPHK1MPL
Bromide SCHEMBL2986402 0.76 HPGDS (0.52) L3MBTL1SPHK2SPHK1VCPMPL
SCHEMBL2979533 0.75 ALDH1A1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2SPHK1CYP2C9
SCHEMBL2983130 0.75 ALDH1A1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2973233 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2DRD3CYP2C9DRD2
SCHEMBL2981957 0.74 ALDH1A1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2FAAH
SCHEMBL2972825 0.73 RAB9A (0.55) L3MBTL1ALDH1A1SMN1; SMN2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786143-B2 Thiazolyl piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US claimed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP claimed
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
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US disclosed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 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 (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 L3MBTL1 3337/4885ALDH1A1 263/4885SMN1; SMN2 3880/4885

“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.