SCHEMBL2979648

SCHEMBL2979648

COc1cccc(-c2csc(C3CCN(C(C)C)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CYP19A1 P11511 1/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOA P21397 6/20 0.46
MAOB P27338 6/20 0.46
HPGD P15428 2/20 0.46
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
HTT P42858 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL24188229 0.89 CYP19A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ACYP19A1
SCHEMBL2986385 0.86 RAB9A (0.58) ALDH1A1SMN1; SMN2NPC1RAB9ACYP19A1
SCHEMBL2979822 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2981385 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ACYP19A1
SCHEMBL2970766 0.83 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL2981891 0.83 MAPT (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL25167080 0.83 NPC1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL4262042 0.81 HPGDS (0.57) ALDH1A1SMN1; SMN2NPC1RAB9ACYP19A1
SCHEMBL2981402 0.81 CYP1A1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2983740 0.81 CASP3 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AUCHL1

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 ALDH1A1 263/4885SMN1; SMN2 3880/4885NPC1 807/4885

“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.