SCHEMBL5113329

SCHEMBL5113329

CC1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cn3)cc2)CCN1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 16/20 0.72
MCHR1 Q99705 1/20 0.47
CCR1 P32246 2/20 0.47
MGLL Q99685 1/20 0.46
FPR3 P25089 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
GPR35 Q9HC97 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
SCHEMBL2767245 1.00 MLNR (0.72) MLNRMCHR1CCR1MGLLFPR3
SCHEMBL5114320 0.92 MLNR (0.74) MLNRMGLL
SCHEMBL2766641 0.92 MLNR (0.74) MLNRMGLL
SCHEMBL5107890 0.90 MLNR (0.61) MLNRCCR1MGLL
SCHEMBL2767313 0.90 MLNR (0.61) MLNRCCR1MGLL
SCHEMBL2767206 0.90 MLNR (0.61) MLNRCCR1MGLL
SCHEMBL2767201 0.90 MLNR (0.58) MLNRCCR1FPR3GPR65GPR35
SCHEMBL3554727 0.88 MLNR (0.66) MLNRMCHR1CCR1MGLL
SCHEMBL2767737 0.87 MLNR (0.69) MLNRMCHR1CCR1MGLL
SCHEMBL2767685 0.87 MLNR (0.72) MLNRCCR1FPR3GPR65GPR35

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 25/4885MCHR1 320/4885CCR1 935/4885

“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.