SCHEMBL2825926

SCHEMBL2825926

CCN1CCN(c2ccc(CNC(=O)Cc3ccc(F)cc3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
PARP1 P09874 1/20 0.48
CACNA1H O95180 1/20 0.48
AOC3 Q16853 4/20 0.47
RET P07949 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL2824295 0.90 SMO (0.53) LMNAKMT2APARP1AOC3RET
SCHEMBL2829555 0.89 OPRM1 (0.48) GAAOPRM1OPRK1TDP1HTR1A
SCHEMBL2825674 0.86 WNT3A (0.58) GAAKMT2ACACNA1HALDH1A1OPRM1
SCHEMBL2827541 0.82 CXCR3 (0.53) GAALMNAKMT2APARP1CACNA1H
SCHEMBL2828676 0.78 KDM4E (0.53) GAALMNAKMT2AALDH1A1OPRM1
SCHEMBL2829607 0.76 RECQL (0.56) ALDH1A1RAB9A
SCHEMBL2824451 0.76 MEN1 (0.69) KMT2AALDH1A1RAB9AHTR1ADRD2
SCHEMBL6929102 0.75 KDM4E (0.55) GAAPARP1HTR1ADRD2DRD1
SCHEMBL3061099 0.75 AOC3 (0.55) LMNAPARP1CACNA1HAOC3ALDH1A1
SCHEMBL2826569 0.74 GAA (0.55) GAAKMT2APARP1AOC3RET

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 GAA 2915/4885LMNA 2655/4885KMT2A 164/4885

“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.