SCHEMBL4049340

SCHEMBL4049340

C[C@H]1CN(Cc2cccc(-c3ccc(F)c(CN)c3)c2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.43
FAAH O00519 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
CCR1 P32246 5/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 2/20 0.40
FPR3 P25089 1/20 0.40
GPR65 Q8IYL9 1/20 0.40
GPR35 Q9HC97 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL3401374 0.88 MGLL (0.47) MGLLFAAHPTGDR2DRD2DRD4
SCHEMBL1632730 0.87 MGLL (0.40) MGLLFAAHPTGDR2CCR1CHRM4
SCHEMBL3395625 0.85 CHRM3 (0.49) MGLLCHRM3
SCHEMBL4048497 0.83 CHRM2 (0.49) MGLLPTGDR2CHRM4CHRM3DPP4
SCHEMBL4049044 0.80 KCNH2 (0.48) MGLLFAAHPTGDR2CHRM4CHRM3
SCHEMBL4208304 0.78 CYP2E1 (0.42) MGLLFAAHPTGDR2CCR1CHRM3
SCHEMBL4212875 0.78 CHRM3 (0.55) CHRM4CHRM3
SCHEMBL3399340 0.78 MGLL (0.43) MGLLFAAHPTGDR2DRD2DRD4
SCHEMBL3400992 0.76 CHRM3 (0.50) CHRM3
SCHEMBL2767018 0.76 CCR1 (0.46) MGLLPTGDR2CCR1CHRM4FPR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
EP-1725236-A4 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1725236-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2005087236-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-09-22 WO 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 MGLL 2225/4885FAAH 1638/4885PTGDR2 456/4885
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 MGLL 1971/4885FAAH 1557/4885PTGDR2 562/4885

“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.