SCHEMBL1507019

SCHEMBL1507019

Fc1ccc(CN2CCC(F)(F)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SIGMAR1 Q99720 3/20 0.52
MAPT P10636 1/20 0.51
DRD2 P14416 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
OPRL1 P41146 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 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
SCHEMBL8117468 0.83 MAPT (0.67) HRH3SIGMAR1MAPTKDM4E
SCHEMBL1930027 0.83 ALDH1A1 (0.58) HRH3ALDH1A1KDM4E
SCHEMBL4259787 0.83 ALDH1A1 (0.61) HRH3ALDH1A1SIGMAR1KDM4EOPRL1
SCHEMBL12373 0.83 ALDH1A1 (0.59) HRH3ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL2918565 0.82 SIGMAR1 (0.65) ALDH1A1SIGMAR1MEN1KMT2AOPRL1
SCHEMBL14774848 0.80 DRD2 (0.50) ALDH1A1SIGMAR1MAPTDRD2MEN1
SCHEMBL12160960 0.80 ALDH1A1 (0.54) HRH3ALDH1A1MAPTDRD2KDM4E
SCHEMBL632458 0.80 POLB (0.49) HRH3ALDH1A1SIGMAR1OPRL1
SCHEMBL5319459 0.79 HRH3 (0.74) HRH3ALDH1A1MAPTKDM4E
SCHEMBL18227794 0.79 HRH3 (0.48) HRH3ALDH1A1SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2381778-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2016-06-08 EP disclosed
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 HRH3 2/4885ALDH1A1 2066/4885SIGMAR1 172/4885

“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.