SCHEMBL2979533

SCHEMBL2979533

CC(C)CN1CCC(c2nc(-c3cccc(F)c3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
HPGDS O60760 1/20 0.39
MAP4K4 O95819 1/20 0.39
CCNT1 O60563 2/20 0.39
SCN9A Q15858 3/20 0.38
CYP2D6 P10635 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2983130 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2979822 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19399148 0.82 KDM4E (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2973233 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2972791 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3774063 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2972825 0.78 RAB9A (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3772059 0.77 HPGDS (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
Bromide SCHEMBL2986096 0.76 HPGDS (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2982276 0.75 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1CYP2D6SPHK1

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
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US 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 ALDH1A1 263/4885SMN1; SMN2 3880/4885MEN1 2569/4885

“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.