SCHEMBL2981402

SCHEMBL2981402

COc1ccc(-c2csc(C3CCN(C(C)C)CC3)n2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.54
CYP1B1 Q16678 6/20 0.54
TLR9 Q9NR96 1/20 0.48
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.42

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
SCHEMBL2981407 0.88 NPC1 (0.41) CYP1A1CYP1B1TLR9TLR8TLR7
SCHEMBL2977251 0.85 CYP19A1 (0.45) MAPTSMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL2982126 0.84 CYP1A1 (0.53) CYP1A1CYP1B1TLR9TLR7NPC1
SCHEMBL2986385 0.83 RAB9A (0.58) TLR9TLR7NPC1RAB9AMAPT
SCHEMBL4262081 0.82 CYP1A1 (0.59) CYP1A1CYP1B1TLR9TLR7NPC1
SCHEMBL4261401 0.81 HRH3 (0.40) CYP1A1CYP1B1TLR9TLR8TLR7
SCHEMBL2979648 0.81 ALDH1A1 (0.51) NPC1RAB9AMAPTSMN1; SMN2MEN1
Bromide SCHEMBL2985795 0.81 CYP1A1 (0.57) CYP1A1CYP1B1TLR9TLR7NPC1
SCHEMBL2981891 0.80 MAPT (0.50) TLR9TLR8TLR7NPC1RAB9A
SCHEMBL18997359 0.78 KMT2A (0.55) CYP1A1CYP1B1NPC1RAB9AMAPT

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 CYP1A1 444/4885CYP1B1 756/4885TLR9 321/4885

“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.