SCHEMBL599587

SCHEMBL599587

CNC(=O)c1ccc(C(=O)O)cn1.[LiH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 10/20 0.63
P4HA1 P13674 2/20 0.63
MIF P14174 1/20 0.63
HCAR3 P49019 4/20 0.56
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NAPRT Q6XQN6 1/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
BAZ2B Q9UIF8 1/20 0.49
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL2113530 0.98 P4HTM (0.66) P4HTMP4HA1MIFHCAR3KDM4E
SCHEMBL29967093 0.98 P4HTM (0.66) P4HTMP4HA1MIFHCAR3KDM4E
SCHEMBL13184552 0.87 BAZ2B (0.57) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL2219738 0.84 NNMT (0.61) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL15037438 0.84 P4HTM (0.66) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL7278412 0.81 P4HTM (0.68) P4HTMP4HA1MIFHCAR3KDM4E
Lithium Ion SCHEMBL599586 0.81 ALDH1A1 (0.46) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL18231649 0.81 ALDH1A1 (0.47) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL600512 0.81 MAPK1 (0.74) P4HTMKDM4EMAPK1L3MBTL1NPC1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL27894716 0.81 P4HTM (0.95) P4HTMP4HA1MIFHCAR3KDM4E

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 P4HTM 455/4885P4HA1 483/4885MIF 3982/4885

“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.