SCHEMBL377526

SCHEMBL377526

C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.47
NR2F2 P24468 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
MGLL Q99685 1/20 0.44
DRD4 P21917 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL377867 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL13404767 0.86 ALDH1A1 (0.45) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL377559 0.85 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL29269210 0.85 CCR1 (0.47) GPR119MGLL
SCHEMBL29269208 0.85 CCR1 (0.47) GPR119MGLL
SCHEMBL29269207 0.85 CCR1 (0.47) GPR119MGLL
SCHEMBL377466 0.84 CCR1 (0.46) LMNAGPR119MGLL
SCHEMBL13954897 0.84 CCR1 (0.59)
SCHEMBL377822 0.84 CCR1 (0.46) LMNAGPR119MGLL
SCHEMBL7968974 0.84 MGLL (0.49) GPR119MGLL

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 19 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-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 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
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 WO 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 (5 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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR ALDH1A1 3421/4885LMNA 3279/4885MAPT 2383/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ALDH1A1 3575/4885LMNA 4338/4885MAPT 3016/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ALDH1A1 3575/4885LMNA 4338/4885MAPT 3016/4885
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 ALDH1A1 3721/4885LMNA 4325/4885MAPT 4305/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 ALDH1A1 839/4885LMNA 2536/4885MAPT 1937/4885

“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.