SCHEMBL2830728

SCHEMBL2830728

CCN1CCN(c2ccc(NC(=O)N[C@@H]3C[C@H]3c3ccccc3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
CNR1 P21554 1/20 0.51
KDM1A O60341 2/20 0.49
EPHX2 P34913 3/20 0.46
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAD52 P43351 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
MET P08581 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDH1 O75874 1/20 0.42
FGFR3 P22607 1/20 0.41
PTPN11 Q06124 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL2829128 0.90 CNR1 (0.48) HRH3CNR1KDM1AEPHX2L3MBTL1
SCHEMBL2826056 0.86 CNR1 (0.51) HRH3CNR1KDM1AEPHX2L3MBTL1
SCHEMBL2824317 0.83 CNR1 (0.50) HRH3CNR1KDM1AEPHX2MET
SCHEMBL2829715 0.83 CNR1 (0.50) HRH3CNR1KDM1AEPHX2MET
SCHEMBL2824123 0.79 RECQL (0.57) EPHX2NPC1TP53POLBRAB9A
SCHEMBL2829504 0.79 MCHR1 (0.53) NPC1TP53POLBRAB9AL3MBTL1
SCHEMBL2829607 0.77 RECQL (0.56) NPC1TP53POLBRAB9AL3MBTL1
SCHEMBL2828961 0.77 RAB9A (0.59) NPC1TP53POLBRAB9AL3MBTL1
Cyclohexane SCHEMBL2829875 0.76 RAB9A (0.52) HRH3NPC1RAB9AL3MBTL1RAD52
SCHEMBL2824451 0.76 MEN1 (0.69) NPC1POLBRAB9A

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 5 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-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US 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
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US 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 HRH3 1/4885CNR1 20/4885KDM1A 124/4885

“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.