SCHEMBL2825849

SCHEMBL2825849

O=S(=O)(NCc1ccc(N2CCN(C3CCCC3)CC2)nc1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HRH3 Q9Y5N1 3/20 0.40
AKT1 P31749 1/20 0.40
NR3C2 P08235 1/20 0.39
HDAC1 Q13547 1/20 0.39
HTR7 P34969 1/20 0.39
CXCR3 P49682 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
HRH1 P35367 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL2827985 0.88 CYP1A2 (0.44) HRH3NR3C2ACHEALDH1A1TSHR
SCHEMBL2829310 0.86 ALDH1A1 (0.51) HRH3ACHEALDH1A1TSHRMAPK1
SCHEMBL2828081 0.84 TP53 (0.46) HRH3CXCR3ALDH1A1TSHRMAPK1
SCHEMBL2829673 0.84 GAA (0.47) HRH3AKT1NR3C2HTR7DCTPP1
SCHEMBL2829705 0.83 POLB (0.52) DRD2ADRA1DADRA1AADRA1BHRH3
SCHEMBL2825670 0.82 ALDH1A1 (0.45) DRD2ADRA1DADRA1AADRA1BHRH3
SCHEMBL2831874 0.80 KDM4E (0.41) HRH3HDAC1CXCR3ACHEHRH1
SCHEMBL2825973 0.80 ALDH1A1 (0.48) CXCR3ALDH1A1TSHRMAPK1KDM2B
Hydrochloric Acid SCHEMBL3973918 0.79 MAPT (0.48) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2827890 0.79 HRH3 (0.39) HRH3HDAC1CXCR3ACHE

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-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN claimed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP claimed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US claimed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO claimed
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US disclosed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122187-A1 Pyridine derivatives as H3 antagonists HRH3, HRH4, HRH2 DRD2 349/4885ADRA1D 23/4885ADRA1A 18/4885

“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.