SCHEMBL900405

SCHEMBL900405

CCOC(=O)C(OC1CCN(C)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.57
SLC6A2 P23975 4/20 0.57
CHRM1 P11229 3/20 0.57
CHRM2 P08172 2/20 0.57
OPRM1 P35372 2/20 0.57
DRD3 P35462 2/20 0.57
KCNH2 Q12809 2/20 0.57
CYP2D6 P10635 2/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
DRD1 P21728 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A4 P31645 2/20 0.46
CHRM3 P20309 3/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46

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
SCHEMBL27103651 0.90 SLC6A2 (0.50) SLC6A3SLC6A2MEN1KMT2ASLC6A4
SCHEMBL27103875 0.86 SLC6A2 (0.50) SLC6A3SLC6A2CYP2D6MEN1KMT2A
SCHEMBL899880 0.85 CHRM1 (0.65) SLC6A3SLC6A2CHRM1CHRM2OPRM1
SCHEMBL2720480 0.82 GPR119 (0.50) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30771364 0.81 SLC6A2 (0.56) SLC6A3SLC6A2CHRM1CHRM2OPRM1
SCHEMBL14068459 0.79 CYP2D6 (0.66) SLC6A3SLC6A2CHRM1CHRM2OPRM1
SCHEMBL17724343 0.76 CYP2C19 (0.46) SLC6A3SLC6A2CYP2D6MAPK1KMT2A
SCHEMBL19312088 0.76 CYP2C19 (0.46) SLC6A3SLC6A2CYP2D6MAPK1KMT2A
SCHEMBL4255064 0.75 TSHR (0.59) SLC6A3SLC6A2CHRM1CHRM2OPRM1
SCHEMBL27148629 0.75 GAA (0.47) SLC6A2MAPK1MEN1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP disclosed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO 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 (2 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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 SLC6A3 1128/4885SLC6A2 1023/4885CHRM1 179/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 SLC6A3 1368/4885SLC6A2 1022/4885CHRM1 121/4885

“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.