SCHEMBL600547

SCHEMBL600547

O=C(OCc1ccccc1)N1CC(C(=O)N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.56
SIGMAR1 Q99720 8/20 0.56
HRH3 Q9Y5N1 6/20 0.56
HTR1A P08908 2/20 0.56
HRH2 P25021 2/20 0.56
HRH1 P35367 2/20 0.56
ADRA2C P18825 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL599648 0.97 HRH3 (0.55) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL13636153 0.88 SIGMAR1 (0.65) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL10123161 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19KDM4E
SCHEMBL2847777 0.85 HRH3 (0.69) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL22765331 0.83 TMEM97 (0.57) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL3678408 0.83 TMEM97 (0.57) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL12524374 0.83 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19KDM4E
SCHEMBL2848828 0.82 HRH3 (0.65) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5103812 0.82 CHRM1 (0.61) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL17150542 0.81 SMN1; SMN2 (0.56) TMEM97SIGMAR1HRH3HTR1AHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
CN-102369196-A Azetidines as histamine h3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2012-03-07 CN disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
EP-2391617-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-12-07 EP disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 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 (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-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH3, HRH2, HRH1 TMEM97 208/4885SIGMAR1 58/4885HRH3 1/4885

“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.