SCHEMBL2979822

SCHEMBL2979822

CC(C)N1CCC(c2nc(-c3cccc(F)c3)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ SCN9A Q15858 3/20 0.40
▸ OGA O60502 1/20 0.40
▸ VCP P55072 2/20 0.39
▸ MAPK14 Q16539 1/20 0.37
▸ FAAH O00519 1/20 0.37

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
SCHEMBL2979533 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2983740 0.85 CASP3 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2970766 0.85 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL19399148 0.85 KDM4E (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2985080 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2979648 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2979635 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2972791 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3774063 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2981780 0.80 AR (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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 11 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
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
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
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 ALDH1A1 263/4885SMN1; SMN2 3880/4885MEN1 2569/4885

“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.

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