SCHEMBL3556045

SCHEMBL3556045

C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLNR O43193 13/20 0.75
CCR1 P32246 1/20 0.46
PRKAA2 P54646 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MGLL Q99685 3/20 0.42

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
SCHEMBL2767002 0.91 MLNR (0.61) MLNRCCR1PRKAA2
SCHEMBL2767125 0.90 MLNR (0.70) MLNRCCR1PRKAA2HRH3MGLL
SCHEMBL2768519 0.88 MLNR (0.76) MLNRCCR1PRKAA2HRH3MGLL
SCHEMBL2767209 0.87 MLNR (0.76) MLNRCCR1PRKAA2HRH3MGLL
SCHEMBL2767820 0.86 MLNR (0.57) MLNRCCR1HRH3MGLL
SCHEMBL2767364 0.86 MLNR (1.00) MLNR
SCHEMBL2769238 0.84 MLNR (0.75) MLNRCCR1PRKAA2HRH3MGLL
SCHEMBL2765888 0.83 MLNR (0.66) MLNRHRH3MGLL
SCHEMBL2766500 0.83 MLNR (0.50) MLNRCCR1MGLL
SCHEMBL2765303 0.82 MLNR (0.76) MLNRHRH3

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 3 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-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 25/4885CCR1 935/4885PRKAA2 3020/4885

“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.