SCHEMBL2981891

SCHEMBL2981891

COc1ccc(-c2csc(C3CCN(C(C)C)CC3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
PKM P14618 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
NTSR1 P30989 1/20 0.42
RECQL P46063 1/20 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
SCHEMBL2986385 0.85 RAB9A (0.58) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2979648 0.83 ALDH1A1 (0.51) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2978630 0.83 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL22358276 0.82 MEN1 (0.53) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2981780 0.81 AR (0.46) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2985080 0.81 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL4261970 0.81 HPGDS (0.52) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2983037 0.81 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL2977251 0.81 CYP19A1 (0.45) MAPTSMN1; SMN2KMT2AMAPK1KDM4E
Bromide SCHEMBL2984287 0.80 HPGDS (0.51) MAPTSMN1; SMN2RAB9ANPC1MEN1

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
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 MAPT 2277/4885SMN1; SMN2 3880/4885RAB9A 2477/4885

“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.