SCHEMBL3559461

SCHEMBL3559461

CN(C(=O)c1ccc(Oc2cccc(F)c2)cc1)c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.60
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
PRKAA2 P54646 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
LTA4H P09960 4/20 0.38
CCR3 P51677 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
SCHEMBL3570120 0.94 MLNR (0.53) MLNRKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3567362 0.92 MLNR (0.51) MLNRPRKAA2KDM4EALDH1A1LMNA
SCHEMBL3559659 0.92 MLNR (0.49) MLNRPRKAA2HIF1AEPAS1LTA4H
SCHEMBL3565649 0.87 MLNR (0.60) MLNRLTA4H
SCHEMBL2766677 0.86 MLNR (0.48) MLNREGLN1KDM4EALDH1A1LMNA
SCHEMBL2767222 0.83 MLNR (0.51) MLNRPRKAA2
SCHEMBL3560942 0.83 MLNR (0.45) MLNRPRKAA2CCR3
SCHEMBL2802496 0.82 MLNR (0.62) MLNR
SCHEMBL2766964 0.81 MLNR (0.41) MLNR
SCHEMBL2397558 0.81 MLNR (0.46) 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 25/4885HSD17B1 4351/4885HSD17B2 4150/4885

“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.