SCHEMBL2970657

SCHEMBL2970657

FC(F)(F)c1cc(-c2csc(C3CCN(C4CCCC4)CC3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP8 Q14790 1/20 0.38
FAAH O00519 1/20 0.37
CXCR3 P49682 1/20 0.37
AR P10275 1/20 0.36
SLC18A3 Q16572 1/20 0.36
UCHL1 P09936 1/20 0.35
MAP3K12 Q12852 2/20 0.34
MAPT P10636 1/20 0.34
ENPP2 Q13822 1/20 0.34
ALOX5 P09917 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2976294 0.89 CASP3 (0.51) SMN1; SMN2ALDH1A1CASP3CASP7CASP8
SCHEMBL2976495 0.88 FAAH (0.43) SMN1; SMN2ALDH1A1FAAHENPP2ALOX5
SCHEMBL5072490 0.84 CXCR3 (0.38) SMN1; SMN2ALDH1A1CASP3CASP7CASP8
SCHEMBL4262470 0.79 HPGDS (0.52) CASP3CASP7CASP8CXCR3ALOX5
SCHEMBL2973505 0.79 HSD11B1 (0.49) SMN1; SMN2ALDH1A1FAAHARSLC18A3
SCHEMBL2981893 0.79 SLC18A3 (0.50) SMN1; SMN2ALDH1A1FAAHARSLC18A3
SCHEMBL2979634 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1UCHL1ENPP2NPC1
SCHEMBL2973488 0.78 NPC1 (0.42) SMN1; SMN2ALDH1A1FAAHMAPTENPP2
SCHEMBL2972791 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1SLC18A3MAPTKDM2B
Bromide SCHEMBL2983703 0.78 HPGDS (0.51) CASP3CASP7CASP8CXCR3ALOX5

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
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
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
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 SMN1; SMN2 3880/4885ALDH1A1 263/4885CASP3 3119/4885

“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.