SCHEMBL3563646

SCHEMBL3563646

C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLNR O43193 15/20 0.63
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.46
GPR119 Q8TDV5 1/20 0.42
CYP2D6 P10635 1/20 0.42
MCHR1 Q99705 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL3559658 0.93 MLNR (0.57) MLNRCCR1CCR5
SCHEMBL3555593 0.92 MLNR (0.53) MLNRCCR1CCR5
SCHEMBL13404717 0.91 MLNR (0.66) MLNRCCR1
SCHEMBL13404686 0.90 MLNR (0.67) MLNRCCR1
SCHEMBL13404719 0.90 MLNR (0.67) MLNRCCR1
SCHEMBL3554727 0.88 MLNR (0.66) MLNRCCR1MCHR1
SCHEMBL13404794 0.88 MLNR (0.49) MLNRHIF1AEPAS1
SCHEMBL3560197 0.88 MLNR (0.48) MLNRCCR1
SCHEMBL2767737 0.87 MLNR (0.69) MLNRCCR1CCR5CYP2D6MCHR1
SCHEMBL3565647 0.87 MLNR (0.69) MLNRCCR1

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 10 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-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US 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-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-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-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 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
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
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 (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 MLNR 25/4885CCR1 935/4885CCR5 869/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 MLNR 251/4885CCR1 549/4885CCR5 342/4885

“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.