SCHEMBL2986385

SCHEMBL2986385

COc1ccc(-c2csc(C3CCN(C(C)C)CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.58
NPC1 O15118 8/20 0.58
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.48
OGA O60502 1/20 0.45
FAAH O00519 1/20 0.43
KDM4E B2RXH2 2/20 0.43
OPRK1 P41145 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ATM Q13315 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL2969067 0.87 NPC1 (0.45) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2970732 0.86 NPC1 (0.44) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2979648 0.86 ALDH1A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2983037 0.86 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2981922 0.85 ALDH1A1 (0.54) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2981891 0.85 MAPT (0.50) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2972825 0.85 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2970766 0.85 L3MBTL1 (0.52) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2981402 0.83 CYP1A1 (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2981407 0.82 NPC1 (0.41) RAB9ANPC1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RAB9A 2477/4885NPC1 807/4885MAPT 2277/4885

“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.