SCHEMBL600879

SCHEMBL600879

CC(C)(C)OC(=O)N1CCCN(C(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
CYP2C19 P33261 1/20 0.50
PARP1 P09874 1/20 0.49
STS P08842 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DPP4 P27487 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45

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
SCHEMBL8309709 0.93 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL16847349 0.90 MEN1 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6180319 0.89 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL30706072 0.89 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL1939593 0.88 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL6981012 0.88 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL26090937 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL10123161 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL1842426 0.86 MEN1 (0.61) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL34473618 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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-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
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 SMN1; SMN2 4075/4885NPC1 2650/4885RAB9A 590/4885

“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.