SCHEMBL2765722

SCHEMBL2765722

CNc1ccc(CN2CCN(C(=O)O)[C@@H](C)C2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.48
CCR1 P32246 4/20 0.41
MGLL Q99685 1/20 0.40
FAAH O00519 1/20 0.40
RORC P51449 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2765765 0.87 MGLL (0.49) PTGDR2CCR1MGLLFAAHRORC
SCHEMBL2768728 0.86 PTGDR2 (0.44) PTGDR2CCR1MGLLFAAHRORC
SCHEMBL13404769 0.85 ALDH1A1 (0.46) PTGDR2CCR1
SCHEMBL2767197 0.84 PTGDR2 (0.50) PTGDR2CCR1MGLLFAAHKDM4E
SCHEMBL2766842 0.83 MGLL (0.48) PTGDR2CCR1MGLL
SCHEMBL2785715 0.83 MGLL (0.48) PTGDR2CCR1MGLL
SCHEMBL4178390 0.81 PTGDR2 (0.52) PTGDR2CCR1
SCHEMBL2767692 0.80 LMNA (0.47) PTGDR2KDM4E
SCHEMBL2767694 0.80 LMNA (0.47) PTGDR2KDM4E
SCHEMBL15094006 0.78 PTGDR2 (0.46) PTGDR2MGLLFAAHRORC

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
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
EP-2041093-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2009-04-01 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-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 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 (2 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-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 PTGDR2 83/4885CCR1 935/4885MGLL 1411/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 PTGDR2 132/4885CCR1 549/4885MGLL 1402/4885

“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.