SCHEMBL2836893

SCHEMBL2836893

NC(=O)[C@@H]1CCC[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 1.00
SCN3A Q9NY46 8/20 1.00
SCN1A P35498 1/20 0.60
SCN4A P35499 1/20 0.60
SCN7A Q01118 1/20 0.60
SCN5A Q14524 1/20 0.60
SCN9A Q15858 1/20 0.60
SCN2A Q99250 1/20 0.60
SCN8A Q9UQD0 1/20 0.60
SCN10A Q9Y5Y9 1/20 0.60
MAOB P27338 5/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2B6 P20813 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAOA P21397 3/20 0.55
PARP10 Q53GL7 1/20 0.55

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
SCHEMBL2834405 1.00 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL12973347 1.00 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2835485 0.94 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2830734 0.80 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2835928 0.80 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2839938 0.80 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2835460 0.80 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2836830 0.79 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL2833145 0.79 KCNH2 (0.98) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL2831659 0.79 KCNH2 (0.98) KCNH2SCN3ASCN1ASCN4ASCN7A

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 9 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 claimed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP claimed
EP-1943216-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-07-16 EP claimed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO claimed
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 KCNH2 3313/4885SCN3A 2352/4885SCN1A 691/4885

“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.