SCHEMBL2832345

SCHEMBL2832345

O=C(O)[C@@H]1CCC(c2ccc(OCc3ccccc3F)cc2F)=N1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
KCNH2 Q12809 6/20 0.48
SCN3A Q9NY46 8/20 0.46
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP14 Q460N5 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
SCN7A Q01118 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
HPD P32754 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL12973299 0.89 MAOB (0.47) MAOBKCNH2SCN3APARP15PARP10
SCHEMBL22534101 0.87 MAOB (0.49) MAOBKCNH2SCN3APARP15PARP10
SCHEMBL2712980 0.87 MAOB (0.49) MAOBKCNH2SCN3APARP15PARP10
SCHEMBL2837133 0.85 KCNH2 (0.53) MAOBKCNH2SCN3APARP15PARP10
SCHEMBL13320301 0.77 MAOB (0.54) MAOBKCNH2SCN3APARP15PARP10
SCHEMBL22534110 0.77 SCN3A (0.54) MAOBKCNH2SCN3APARP15PARP10
SCHEMBL22534112 0.77 SCN3A (0.54) MAOBKCNH2SCN3APARP15PARP10
SCHEMBL2836385 0.76 KCNH2 (0.51) KCNH2SCN3APARP15PARP10
SCHEMBL4515003 0.76 KMO (0.40)
SCHEMBL4515010 0.76 KMO (0.40)

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-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
EP-1943216-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 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 (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 MAOB 1619/4885KCNH2 3313/4885SCN3A 2352/4885

“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.