SCHEMBL2829673

SCHEMBL2829673

CCN1CCN(c2ccc(CNS(=O)(=O)c3ccccc3F)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NR3C2 P08235 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
IMPDH2 P12268 1/20 0.42
KCNH2 Q12809 1/20 0.42
NSD2 O96028 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
AKT1 P31749 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR7 P34969 1/20 0.39
SMO Q99835 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2825744 0.88 KDM2B (0.48) GAAKDM4ENR3C2CYP2C19NSD2
SCHEMBL2828748 0.86 ALDH1A1 (0.53) GAAKDM4ECYP2C19CYP3A4ALDH1A1
SCHEMBL5269582 0.85 KDM4E (0.46) GAAKDM4ENR3C2CYP2C19CYP3A4
SCHEMBL2828676 0.84 KDM4E (0.53) GAAKDM4ECYP2C19CYP3A4ALDH1A1
SCHEMBL2825849 0.84 DRD2 (0.41) NR3C2DCTPP1AKT1ALDH1A1TSHR
SCHEMBL2826569 0.83 GAA (0.55) GAAKDM4EALDH1A1HRH3HTR7
SCHEMBL2827369 0.82 POLB (0.58) GAAKDM4EKCNH2AKT1ALDH1A1
SCHEMBL2827529 0.82 KDM4E (0.50) GAAKDM4EALDH1A1TSHRMAPK1
SCHEMBL2829721 0.80 GAA (0.52) GAAKDM4EALDH1A1HSD17B10HRH3
SCHEMBL2824610 0.80 GAA (0.53) GAAKDM4ECYP2C19CYP3A4ALDH1A1

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 GAA 2915/4885KDM4E 437/4885NR3C2 382/4885

“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.