SCHEMBL5114477

SCHEMBL5114477

COc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN(C(=O)O)C(C)C4)cc3)nc2)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 13/20 0.75
MGLL Q99685 1/20 0.44
WNK1 Q9H4A3 2/20 0.43
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL2766444 1.00 MLNR (0.75) MLNRMGLLWNK1LMNAKMT2A
SCHEMBL2767313 0.91 MLNR (0.61) MLNRMGLL
SCHEMBL5107890 0.91 MLNR (0.61) MLNRMGLL
SCHEMBL3559161 0.90 MLNR (0.70) MLNRMGLLWNK1KMT2ANAAA
SCHEMBL2766641 0.90 MLNR (0.74) MLNRMGLL
SCHEMBL5114320 0.90 MLNR (0.74) MLNRMGLL
SCHEMBL5101569 0.87 MLNR (0.76) MLNRMGLL
SCHEMBL2765877 0.87 MLNR (0.76) MLNRMGLL
SCHEMBL2767033 0.86 MLNR (1.00) MLNR
SCHEMBL2767809 0.85 MLNR (0.56) MLNRMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 25/4885MGLL 1411/4885WNK1 2589/4885

“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.