SCHEMBL2767198

SCHEMBL2767198

CN(C(=O)O)c1ccc(C=O)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
OXTR P30559 1/20 0.37
KCNJ1 P48048 1/20 0.34
FGFR4 P22455 3/20 0.34
CYP2A6 P11509 1/20 0.33
CYP2A13 Q16696 1/20 0.33
KDM4E B2RXH2 5/20 0.31
ALDH1A1 P00352 3/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR1 P32246 1/20 0.31
FOLH1 Q04609 1/20 0.30
KMT2A Q03164 1/20 0.30
RAB9A P51151 3/20 0.30
NPC1 O15118 2/20 0.30
P4HTM Q9NXG6 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8196798 0.80 KCNH2 (0.54) KCNH2KCNJ1CYP2A6CYP2A13ALDH1A1
SCHEMBL12258662 0.79 PAX8 (0.43) KCNH2OXTRFGFR4KDM4EALDH1A1
SCHEMBL15198856 0.76 KCNJ1 (0.39) KCNH2KCNJ1CYP2A6CYP2A13KDM4E
SCHEMBL20576848 0.75 OXTR (0.41) OXTRKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL27663663 0.75 GABRP (0.48) OXTRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28164772 0.72 OXTR (0.37) OXTRKDM4EALDH1A1FOLH1KMT2A
SCHEMBL5028150 0.72 AR (0.40) OXTR
SCHEMBL17544162 0.72 OXTR (0.37) OXTRKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL946362 0.72 CYP2A6 (0.59) CYP2A6CYP2A13KDM4EALDH1A1HSD17B10
SCHEMBL24991834 0.71 ALDH1A1 (0.55) KCNH2KCNJ1CYP2A6CYP2A13KDM4E

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
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-7700599-B2 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2010-04-20 US disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
EP-2041093-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2029538-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 US disclosed
WO-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
WO-2007144400-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-12-21 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 (3 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-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 KCNH2 1188/4885OXTR 492/4885KCNJ1 1035/4885
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 KCNH2 2847/4885OXTR 205/4885KCNJ1 3561/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 KCNH2 2434/4885OXTR 253/4885KCNJ1 1314/4885

“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.