SCHEMBL3556504

SCHEMBL3556504

C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(C#N)c4)CC3)cc2)CCN1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLNR O43193 10/20 0.75
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM4 P08173 5/20 0.45
CCR5 P51681 1/20 0.44
CHRM3 P20309 1/20 0.43
FAAH O00519 1/20 0.43
CCR3 P51677 1/20 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
SCHEMBL3558154 0.91 MLNR (0.72) MLNRCHRM2CHRM4CCR5FAAH
SCHEMBL2769118 0.89 MLNR (0.69) MLNRCHRM2CHRM1CHRM4CCR5
SCHEMBL2767668 0.87 MLNR (0.72) MLNRCHRM4CCR5
SCHEMBL2766949 0.85 MLNR (1.00) MLNRCHRM2CHRM1CHRM3
SCHEMBL2766379 0.84 MLNR (0.58) MLNRCHRM2CHRM1CCR5
SCHEMBL2767709 0.83 MLNR (0.69) MLNRCCR5
SCHEMBL4222441 0.80 MLNR (0.49) MLNRCHRM2CHRM1CHRM4CCR5
SCHEMBL2769119 0.80 MLNR (0.63) MLNRCHRM2CHRM4CHRM3FAAH
SCHEMBL2768082 0.80 MLNR (0.66) MLNRCHRM4CCR5
SCHEMBL15152692 0.79 MLNR (0.51) MLNRCCR5

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 25/4885CHRM2 919/4885CHRM1 775/4885

“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.