SCHEMBL2765411

SCHEMBL2765411

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
NR2F2 P24468 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KCNJ1 P48048 2/20 0.53
KCNH2 Q12809 1/20 0.53
LMNA P02545 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
HTT P42858 1/20 0.48
GALR3 O60755 1/20 0.48
SIGMAR1 Q99720 2/20 0.48

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
SCHEMBL2767995 1.00 KDM4E (0.56) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL377867 0.84 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL2767694 0.84 LMNA (0.47) KDM4ESMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL377526 0.84 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL2767692 0.84 LMNA (0.47) KDM4ESMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL2768306 0.83 KDM4E (0.53) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL28653669 0.83 MGLL (0.51)
SCHEMBL28653667 0.83 MGLL (0.51)
SCHEMBL28927825 0.83 MGLL (0.51)
SCHEMBL14645770 0.83 MGLL (0.56) ALDH1A1ACHESIGMAR1

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 7 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
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 (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 KDM4E 4252/4885SMN1; SMN2 2072/4885NPC1 711/4885
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 KDM4E 2013/4885SMN1; SMN2 3150/4885NPC1 2662/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 KDM4E 4443/4885SMN1; SMN2 1860/4885NPC1 147/4885

“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.