SCHEMBL3477072

SCHEMBL3477072

CC(C)(C)OC(=O)N1CCC(CCCC(=O)Nc2cc(CO)ccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
GPR119 Q8TDV5 14/20 0.54
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
WNT3A P56704 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CETP P11597 1/20 0.43

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
SCHEMBL3476578 0.86 FAAH (0.55) FAAHGPR119MEN1NPC1TP53
SCHEMBL13391123 0.77 PTPN2 (0.47) FAAHGPR119KDM4EPKMWNT3A
SCHEMBL3476997 0.76 HRH4 (0.47) FAAHGPR119WNT3ACETP
SCHEMBL5472808 0.76 GPR119 (0.48) FAAHGPR119KDM4EWNT3ASMN1; SMN2
SCHEMBL2539468 0.75 GPR119 (0.67) FAAHGPR119MEN1KMT2ASMN1; SMN2
SCHEMBL29826339 0.75 FAAH (0.50) FAAHGPR119KDM4EPKM
SCHEMBL390572 0.75 FAAH (0.55) FAAHGPR119WNT3A
SCHEMBL3258915 0.74 GPR119 (0.54) GPR119
SCHEMBL16328379 0.74 TBK1 (0.50)
SCHEMBL7032072 0.74 FAAH (0.52) FAAHGPR119KDM4EPKM

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 FAAH 611/4885GPR119 423/4885KDM4E 850/4885

“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.