SCHEMBL2979646

SCHEMBL2979646

COc1ccc(-c2csc(C3CCN(C4CCCC4)CC3)n2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TLR9 Q9NR96 4/20 0.41
TLR7 Q9NYK1 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FAAH O00519 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
KDM2B Q8NHM5 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
EIF4E P06730 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
SCHEMBL4261401 0.93 HRH3 (0.40) ALDH1A1TLR9TLR7NPC1RAB9A
SCHEMBL2982126 0.88 CYP1A1 (0.53) ALDH1A1TLR9TLR7NPC1RAB9A
SCHEMBL5072503 0.87 ALDH1A1 (0.36) ALDH1A1TLR9TLR7NPC1RAB9A
SCHEMBL2981407 0.84 NPC1 (0.41) ALDH1A1TLR9TLR7NPC1RAB9A
SCHEMBL2971086 0.82 RAB9A (0.57) ALDH1A1TLR9TLR7NPC1RAB9A
SCHEMBL27713667 0.82 AR (0.39) ALDH1A1TLR9TLR7NPC1RAB9A
SCHEMBL2981957 0.82 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AFAAHCYP1A1
SCHEMBL4255919 0.81 JAK2 (0.44) NPC1RAB9ACYP1A1CYP1B1MAPT
SCHEMBL2981385 0.81 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AHRH3MAPT
Bromide SCHEMBL2973520 0.81 JAK2 (0.44) NPC1RAB9ACYP1A1CYP1B1MAPT

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 6 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
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
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 263/4885TLR9 321/4885TLR7 343/4885

“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.