SCHEMBL2984991

SCHEMBL2984991

Cc1nccnc1-c1csc(C2CCN(CC(C)C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPY5R Q15761 2/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ TLR9 Q9NR96 5/20 0.35
▸ TLR8 Q9NR97 5/20 0.35
▸ TLR7 Q9NYK1 5/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ CYP2C8 P10632 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ NDUFS2 O75306 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ OGA O60502 1/20 0.33

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
SCHEMBL2984450 0.79 CHRM4 (0.36) ALDH1A1SMN1; SMN2NPY5RCHRM2BAZ2A
SCHEMBL4261249 0.76 HPGDS (0.50) NPY5RTLR9TLR8TLR7KCNH2
SCHEMBL2973233 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP2C9DRD2
Bromide SCHEMBL2980048 0.75 HPGDS (0.49) NPY5RTLR9TLR8TLR7KCNH2
SCHEMBL2983742 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PARP1PARP2TLR9
SCHEMBL2983130 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TLR9TLR8TLR7
SCHEMBL2972825 0.74 RAB9A (0.55) ALDH1A1SMN1; SMN2
SCHEMBL2979533 0.72 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TLR9TLR8TLR7
SCHEMBL2972744 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRM2HTR3ACCNT1
SCHEMBL2982276 0.71 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2PARP1PARP2HTR2B

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
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 ALDH1A1 263/4885SMN1; SMN2 3880/4885NPY5R 315/4885

“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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