SCHEMBL3564356

SCHEMBL3564356

COCCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 13/20 0.65
STAT3 P40763 1/20 0.39
HPGDS O60760 2/20 0.39
PRKAA2 P54646 1/20 0.37
ACHE P22303 2/20 0.36
WNT3A P56704 1/20 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
SCHEMBL2802496 0.88 MLNR (0.62) MLNRSTAT3HPGDS
SCHEMBL2767504 0.82 MLNR (0.77) MLNRSTAT3HPGDSWNT3A
SCHEMBL13404778 0.79 MLNR (0.72) MLNRSTAT3HPGDS
SCHEMBL2766326 0.79 MLNR (1.00) MLNR
SCHEMBL2767559 0.76 MLNR (0.48) MLNR
SCHEMBL3562241 0.75 MLNR (0.62) MLNRPRKAA2
SCHEMBL3559461 0.73 MLNR (0.60) MLNRPRKAA2
SCHEMBL2766772 0.72 MLNR (0.75) MLNRSTAT3HPGDS
SCHEMBL3570120 0.72 MLNR (0.53) MLNR
SCHEMBL2767222 0.71 MLNR (0.51) MLNRPRKAA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 MLNR 25/4885STAT3 2371/4885HPGDS 1134/4885

“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.