SCHEMBL2767386

SCHEMBL2767386

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.39
MGLL Q99685 1/20 0.38
ENPP2 Q13822 1/20 0.38
FPR3 P25089 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
RXRB P28702 2/20 0.36
OGA O60502 2/20 0.36

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
SCHEMBL377605 0.85 GPR119 (0.43) CCR1MGLLENPP2PTGDR2
SCHEMBL17941914 0.84 MGLL (0.40) CCR1MGLLENPP2PTGDR2
SCHEMBL28456817 0.84 MGLL (0.40) CCR1MGLLENPP2PTGDR2
SCHEMBL377606 0.84 HIF1A (0.34) RXRB
SCHEMBL20788244 0.83 CCR1 (0.47) CCR1MGLLENPP2FPR3GPR65
SCHEMBL20788251 0.83 CCR1 (0.47) CCR1MGLLENPP2FPR3GPR65
SCHEMBL2766842 0.82 MGLL (0.48) CCR1MGLLFPR3GPR65GPR35
SCHEMBL2785715 0.82 MGLL (0.48) CCR1MGLLFPR3GPR65GPR35
SCHEMBL2229179 0.81 CHRM4 (0.45)
SCHEMBL2767158 0.77 MGLL (0.44) CCR1MGLLFPR3GPR65GPR35

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 9 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-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-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 CCR1 926/4885MGLL 1468/4885ENPP2 339/4885
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 CCR1 935/4885MGLL 1411/4885ENPP2 715/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 CCR1 549/4885MGLL 1402/4885ENPP2 328/4885

“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.