SCHEMBL2827804

SCHEMBL2827804

O=C(Nc1ccc(N2CCN(C3CCCC3)CC2)nc1)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
EPHX1 P07099 9/20 0.51
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
EPHX2 P34913 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DGAT1 O75907 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CA12 O43570 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
Cyclopentane SCHEMBL2825703 0.86 HRH3 (0.50) ALDH1A1CYP2C19KDM4EMAPTRAB9A
SCHEMBL2830938 0.86 HRH3 (0.50) ALDH1A1CYP2C19KDM4EMAPTRAB9A
Cyclohexane SCHEMBL2824747 0.86 HRH3 (0.50) ALDH1A1CYP2C19KDM4EMAPTRAB9A
Cyclopropane SCHEMBL2826295 0.86 HRH3 (0.50) ALDH1A1CYP2C19KDM4EMAPTRAB9A
SCHEMBL2828759 0.85 MAPT (0.55) ALDH1A1KDM4EMAPTEPHX1RAB9A
SCHEMBL2828179 0.84 LMNA (0.54) ALDH1A1EPHX1RAB9ANPC1GAA
SCHEMBL2824123 0.84 RECQL (0.57) ALDH1A1EPHX1RAB9ANPC1GAA
SCHEMBL4177328 0.83 MEN1 (0.53) MEN1ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL2825833 0.82 EPHX1 (0.49) ALDH1A1EPHX1RAB9ANPC1GAA
SCHEMBL2824317 0.81 CNR1 (0.50) KDM4EMAPTEPHX2HRH3

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 MEN1 2620/4885ALDH1A1 586/4885CYP2C9 988/4885

“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.