SCHEMBL2829555

SCHEMBL2829555

CCN1CCN(c2ccc(CNC(=O)NCc3ccc(F)cc3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
CXCR3 P49682 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 2/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 3/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A4 P31645 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2825926 0.89 GAA (0.50) OPRM1OPRK1CXCR3HTR1ADRD2
SCHEMBL2829607 0.80 RECQL (0.56) KDM4E
SCHEMBL2828676 0.80 KDM4E (0.53) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL2829504 0.80 MCHR1 (0.53) DRD2DRD4KDM4ESMOMCHR1
SCHEMBL2076559 0.80 RAB9A (0.51) MCHR1
SCHEMBL2825674 0.79 WNT3A (0.58) OPRM1OPRK1KDM4EGAA
SCHEMBL2824295 0.79 SMO (0.53) KDM4EME2ME1ME3SMO
SCHEMBL6929102 0.77 KDM4E (0.55) HRH3HTR1ADRD2DRD4HTR2A
SCHEMBL2826569 0.76 GAA (0.55) HRH3HTR1ADRD2DRD4HTR2A
SCHEMBL844082 0.75 GAA (0.52) OPRM1OPRK1HRH3HTR1ADRD2

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 12 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
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US 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 OPRM1 165/4885OPRK1 91/4885CXCR3 461/4885

“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.