SCHEMBL600179

SCHEMBL600179

O=C(O)c1ccc(-n2cncn2)c(F)c1.[LiH]

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP3A4 P08684 1/20 0.69
GPR119 Q8TDV5 3/20 0.49
S1PR3 Q99500 2/20 0.49
POLB P06746 1/20 0.48
S1PR1 P21453 1/20 0.46
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.41

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
SCHEMBL29664608 0.98 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19CYP3A4GPR119
SCHEMBL12490579 0.98 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19CYP3A4GPR119
Lithium Ion SCHEMBL600178 0.84 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19CYP3A4GPR119
SCHEMBL600222 0.82 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19CYP3A4GPR119
SCHEMBL29664680 0.81 MYC (0.54) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3
SCHEMBL18394604 0.81 MYC (0.54) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3
SCHEMBL28183105 0.79 MYC (0.50) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL28574292 0.77 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL14862815 0.76 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19CYP3A4GPR119
SCHEMBL299335 0.76 MAPT (0.65) POLBALDH1A1MAPTMEN1KMT2A

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 5 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
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
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

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 CYP1A2 768/4885CYP2C9 748/4885CYP2C19 535/4885

“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.