SCHEMBL1507016

SCHEMBL1507016

O=C(CC1CC1)N1CCc2nc(Cl)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.42
ABHD6 Q9BV23 1/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM4 P08173 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PRMT5 O14744 2/20 0.40
NAMPT P43490 4/20 0.39
PREP P48147 1/20 0.38
CDK4 P11802 4/20 0.37
FLT3 P36888 3/20 0.37
CDK2 P24941 2/20 0.37
CDK6 Q00534 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
HRH1 P35367 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL30790927 0.95 ADORA2A (0.46) GRM5ABHD6ADORA2AADORA1NAMPT
SCHEMBL30790934 0.90 GRM5 (0.40) GRM5ABHD6CYP1A2CHRM4ADORA2A
SCHEMBL22544433 0.83 NPC1 (0.48) GRM5ABHD6SLC6A15HPGD
SCHEMBL1507101 0.80 KEAP1 (0.48) GRM5ABHD6HPGD
SCHEMBL30790930 0.80 ABHD6 (0.44) GRM5ABHD6NAMPTCDK4FLT3
SCHEMBL867848 0.79 ABHD6 (0.48) GRM5ABHD6CDK4CDK2CDK6
SCHEMBL30575069 0.79 CHEK1 (0.46) GRM5ABHD6NAMPTCDK4FLT3
SCHEMBL30790982 0.78 ABHD6 (0.46) GRM5ABHD6CYP1A2CHRM4PRMT5
SCHEMBL20483717 0.78 ABHD6 (0.47) GRM5ABHD6HPGD
SCHEMBL3261690 0.78 NOTUM (0.51) GRM5ABHD6CDK4FLT3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
US-8691804-B2 Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-04-08 US disclosed
US-8691804-B2 Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-04-08 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
EP-2300422-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-03-30 EP disclosed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 WO disclosed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 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 (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-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 GRM5 362/4885ABHD6 2985/4885CYP1A2 627/4885

“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.