SCHEMBL3476989

SCHEMBL3476989

CN1CCC(CCCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.81
MAOB P27338 3/20 0.51
HTR1A P08908 3/20 0.51
HTR7 P34969 2/20 0.51
DRD3 P35462 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
KMT2A Q03164 1/20 0.49

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
SCHEMBL6950324 0.89 ACHE (1.00) ACHEKMT2A
SCHEMBL14450985 0.85 ACHE (0.57) ACHEMAOBHTR1AHTR7DRD3
SCHEMBL29263737 0.84 HPGD (0.59) ACHEHTR1AHTR7DRD3CYP1A2
SCHEMBL19834759 0.83 ACHE (0.57) ACHEHTR1AHTR7DRD3HRH1
SCHEMBL6775686 0.82 ACHE (0.55) ACHEHTR1AHTR7DRD3HRH1
SCHEMBL6957478 0.81 ACHE (0.74) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL5393686 0.81 DRD3 (0.69) ACHEMAOBHTR1AHTR7DRD3
Hydrochloric Acid SCHEMBL19834818 0.81 ACHE (0.54) ACHEMAOBHTR1AHTR7DRD3
SCHEMBL5475624 0.80 ACHE (0.53) ACHE
SCHEMBL17117470 0.80 ACHE (0.59) ACHEHTR1AHTR7DRD3CYP1A2

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 2183/4885MAOB 3076/4885HTR1A 254/4885

“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.