SCHEMBL2767693

SCHEMBL2767693

C[C@@H]1CN(Cc2ccc(N)cc2)C[C@H](C)N1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
S1PR5 Q9H228 10/20 0.44
S1PR1 P21453 9/20 0.44
ALDH1A1 P00352 2/20 0.44
S1PR3 Q99500 2/20 0.42
S1PR4 O95977 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL28664899 0.86 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4HRH4
SCHEMBL3322574 0.86 S1PR5 (0.54) SIGMAR1S1PR5S1PR1ALDH1A1
SCHEMBL27712615 0.85 TNIK (0.47) LMNASIGMAR1S1PR5S1PR1ALDH1A1
SCHEMBL4194903 0.85 TNIK (0.47) LMNASIGMAR1S1PR5S1PR1ALDH1A1
SCHEMBL2766832 0.82 KDM4E (0.43) S1PR5S1PR1ALDH1A1S1PR3S1PR4
SCHEMBL12156624 0.81 MGLL (0.50) LMNASIGMAR1ALDH1A1
SCHEMBL2768126 0.81 MGLL (0.50) LMNASIGMAR1ALDH1A1
SCHEMBL2766247 0.81 MGLL (0.50) LMNASIGMAR1ALDH1A1
SCHEMBL377569 0.81 GBA1 (0.41) GBA1LMNASIGMAR1S1PR5S1PR1
SCHEMBL2768306 0.80 KDM4E (0.53) GBA1LMNASIGMAR1ALDH1A1

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 8 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
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 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 (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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR GBA1 399/4885LMNA 3279/4885SIGMAR1 351/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 GBA1 1163/4885LMNA 4338/4885SIGMAR1 408/4885
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 GBA1 3095/4885LMNA 4325/4885SIGMAR1 1064/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 GBA1 614/4885LMNA 2536/4885SIGMAR1 706/4885

“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.