SCHEMBL900545

SCHEMBL900545

CN1CCC(OC(c2cccc(SCCCC(N)OC(=O)C(=O)OC(N)CCCSc3cccc(C(OC4CCN(C)CC4)c4nc5cc(F)ccc5[nH]4)c3)c2)c2nc3cc(F)ccc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.35
KMT2A Q03164 1/20 0.33
CHRM2 P08172 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PRCP P42785 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32
CCR3 P51677 3/20 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
SCHEMBL900609 0.87 CHRM2 (0.39) BCHEKMT2ACHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL900546 0.87 BCHE (0.38) BCHEKMT2ACHRM2HTR1AADRA2A
SCHEMBL17491677 0.87 CHRM2 (0.36) BCHEKMT2ACHRM2HTR1AADRA2A
SCHEMBL2720629 0.87 CHRM2 (0.36) BCHEKMT2ACHRM2HTR1AADRA2A
SCHEMBL901283 0.85 BCHE (0.34) BCHEKMT2ACHRM2HTR1AADRA2A
SCHEMBL12474337 0.84 BCHE (0.37) BCHEKMT2ACHRM2HTR1AADRA2A
SCHEMBL900408 0.83 BCHE (0.34) BCHEKMT2ACHRM2HTR1AADRA2A
SCHEMBL900555 0.82 CHRM2 (0.33) BCHEKMT2ACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL901286 0.81 MAPK1 (0.34) BCHEKMT2ACHRM2HTR1AADRA2A
SCHEMBL899959 0.81 CCNT1 (0.36) BCHEKMT2ACHRM2PRCPCHRM4

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 14 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 claimed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US claimed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US claimed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US claimed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US claimed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP claimed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO claimed
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
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 BCHE 206/4885KMT2A 1048/4885CHRM2 155/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 BCHE 271/4885KMT2A 1334/4885CHRM2 93/4885

“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.