SCHEMBL899880

SCHEMBL899880

CN1CCC(OC(C(=O)O)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.65
CYP2D6 P10635 2/20 0.65
CHRM2 P08172 1/20 0.65
HTR1A P08908 1/20 0.65
ADRA2A P08913 1/20 0.65
DRD1 P21728 1/20 0.65
SLC6A2 P23975 1/20 0.65
ADRA1A P35348 1/20 0.65
OPRM1 P35372 1/20 0.65
DRD3 P35462 1/20 0.65
SLC6A3 Q01959 1/20 0.65
KCNH2 Q12809 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
MAPK1 P28482 1/20 0.63
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRM3 P20309 3/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
SCN1A P35498 3/20 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
SCHEMBL17724373 0.85 CYP2D6 (0.43) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL24327750 0.85 CYP2D6 (0.43) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL19305340 0.85 CYP2D6 (0.43) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL11471641 0.85 KMT2A (0.50) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL900405 0.85 SLC6A3 (0.57) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL21881471 0.82 TSHR (0.46) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL21881840 0.82 TSHR (0.46) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL21881480 0.82 TSHR (0.46) CHRM1CYP2D6CHRM2HTR1AADRA2A
SCHEMBL23315458 0.81 TSHR (0.48) CYP2D6MEN1KMT2AALDH1A1HTT
SCHEMBL21881514 0.81 TSHR (0.48) CYP2D6MEN1KMT2AALDH1A1HTT

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 CHRM1 179/4885CYP2D6 1344/4885CHRM2 155/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 CHRM1 121/4885CYP2D6 753/4885CHRM2 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.