SCHEMBL2829128

SCHEMBL2829128

CC(C)CN1CCN(c2ccc(NC(=O)N[C@@H]3C[C@H]3c3ccccc3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
EPHX2 P34913 3/20 0.44
MAPK1 P28482 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM1A O60341 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MET P08581 1/20 0.40
IDH1 O75874 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR2 O60603 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
FPR1 P21462 1/20 0.38
FPR2 P25090 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
SCHEMBL2830728 0.90 HRH3 (0.56) CNR1EPHX2MAPK1HRH3KDM1A
SCHEMBL2826056 0.88 CNR1 (0.51) CNR1EPHX2HRH3KDM1AL3MBTL1
SCHEMBL2829715 0.81 CNR1 (0.50) CNR1EPHX2HRH3KDM1AMET
SCHEMBL2824317 0.81 CNR1 (0.50) CNR1EPHX2HRH3KDM1AMET
SCHEMBL2825833 0.80 EPHX1 (0.49) EPHX2SMN1; SMN2
SCHEMBL2830726 0.80 NAMPT (0.48) MAPK1L3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL2829351 0.78 MAPT (0.49) L3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL2830941 0.78 L3MBTL1 (0.56) L3MBTL1KDM4EMAPTCYP1A2
SCHEMBL2831848 0.77 RAB9A (0.52) L3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL2828592 0.76 MAPT (0.44) L3MBTL1SMN1; SMN2KDM4EMAPTCYP1A2

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 CNR1 20/4885EPHX2 1363/4885MAPK1 1153/4885

“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.