SCHEMBL2835543

SCHEMBL2835543

C[C@@H](Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2C(=O)O)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
SCN3A Q9NY46 1/20 0.57
ALOX5 P09917 1/20 0.46
S1PR5 Q9H228 2/20 0.45
S1PR1 P21453 1/20 0.45
FFAR1 O14842 1/20 0.43
LTB4R Q15722 7/20 0.41
LTB4R2 Q9NPC1 7/20 0.41
SCN9A Q15858 1/20 0.38
IGLV6-57 P01721 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL12973274 0.87 KCNH2 (0.52) KCNH2SCN3AALOX5S1PR5S1PR1
SCHEMBL20835720 0.80 FFAR2 (0.42) KCNH2
SCHEMBL2713220 0.77 KCNH2 (0.55) KCNH2S1PR5
SCHEMBL2714652 0.77 KCNH2 (0.55) KCNH2S1PR5
SCHEMBL2712695 0.77 KCNH2 (0.55) KCNH2S1PR5
SCHEMBL2839895 0.75 KCNH2 (0.50) KCNH2SCN3ASCN9A
SCHEMBL4759457 0.75 KCNH2 (0.39) KCNH2
SCHEMBL2714031 0.75 KCNH2 (0.39) KCNH2
SCHEMBL2712967 0.75 KCNH2 (0.39) KCNH2
SCHEMBL2713204 0.75 KCNH2 (0.39) KCNH2

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-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 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-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 KCNH2 3313/4885SCN3A 2352/4885ALOX5 870/4885

“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.