SCHEMBL3476852

SCHEMBL3476852

CN1CCC(CCCCN(C)c2cc(C#N)cc[n+]2[O-])CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
NAMPT P43490 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
VNN1 O95497 1/20 0.33
PGR P06401 1/20 0.33
NOS2 P35228 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 1/20 0.33
NMT1 P30419 3/20 0.33
KDM1A O60341 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL3477675 0.77 HCRTR1 (0.46)
SCHEMBL3475694 0.70 KDM1A (0.42) HRH3VNN1KDM1AEGLN2
SCHEMBL1626059 0.67 HRH1 (0.50) HRH3VNN1DRD2DRD3
SCHEMBL1626586 0.66 HRH4 (0.43) HRH3VNN1NMT1EGLN2
SCHEMBL22600173 0.65 SIGMAR1 (0.60) ACHEHRH3NMT1
SCHEMBL24493105 0.63 MAOB (0.66) HRH3
SCHEMBL11164665 0.63 NCF1 (0.56) ACHEHRH3NMT1
SCHEMBL1714617 0.62 HRH3 (0.61) HRH3
SCHEMBL14203281 0.61 SIGMAR1 (0.42) ACHEHRH3DRD2DRD3NMT1
SCHEMBL11157613 0.61 NCF1 (0.54) ACHEHRH3NMT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004188-B1 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-09-01 EP disclosed
US-7589087-B2 Benzoimidazol-2-yl pyridines as modulators of the histamine H4receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-15 US disclosed
EP-2004188-A4 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
EP-2004188-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-24 EP disclosed
WO-2007117400-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed
US-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 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-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 ACHE 2183/4885NAMPT 1240/4885HRH3 2/4885

“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.