SCHEMBL377605

SCHEMBL377605

CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
HDAC1 Q13547 1/20 0.41
MAP4K4 O95819 1/20 0.41
SETD7 Q8WTS6 1/20 0.38
CCR1 P32246 5/20 0.37
ENPP2 Q13822 1/20 0.37
CALCA P06881 1/20 0.37
NTRK1 P04629 2/20 0.36
MGLL Q99685 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL28388289 0.85 CCR1 (0.45) GPR119HDAC1MAP4K4SETD7CCR1
SCHEMBL28388288 0.85 CCR1 (0.45) GPR119HDAC1MAP4K4SETD7CCR1
SCHEMBL30529023 0.85 CCR1 (0.45) GPR119HDAC1MAP4K4SETD7CCR1
SCHEMBL2767386 0.85 CCR1 (0.39) CCR1ENPP2MGLLPTGDR2
SCHEMBL377691 0.84 CCR1 (0.44) GPR119MAP4K4SETD7CCR1MGLL
SCHEMBL377423 0.84 CCR1 (0.44) GPR119MAP4K4SETD7CCR1MGLL
SCHEMBL6912757 0.83 GPR119 (0.47) GPR119HDAC1MAP4K4
SCHEMBL377619 0.80 MGLL (0.43) GPR119HDAC1MAP4K4SETD7ENPP2
SCHEMBL13404762 0.80 GPR119 (0.47) GPR119HDAC1MAP4K4SETD7CCR1
SCHEMBL13404769 0.79 ALDH1A1 (0.46) CCR1PTGDR2ALDH1A1

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 17 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-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-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US 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-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-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
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 GPR119 15/4885HDAC1 1724/4885MAP4K4 1161/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 GPR119 15/4885HDAC1 1724/4885MAP4K4 1161/4885
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 GPR119 24/4885HDAC1 1503/4885MAP4K4 1166/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 GPR119 5/4885HDAC1 2149/4885MAP4K4 2514/4885

“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.