SCHEMBL2833719

SCHEMBL2833719

C[C@@]1(C(N)=O)CC[C@H](c2ccc(OCc3ccccc3C#N)cc2)N1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.55
FFAR1 O14842 1/20 0.46
MMP1 P03956 3/20 0.44
ADAM17 P78536 2/20 0.44
MAOB P27338 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
ALKBH1 Q13686 1/20 0.41
SCN3A Q9NY46 6/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN7A Q01118 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL483783 0.89 KCNH2 (0.51) KCNH2FFAR1MMP1ADAM17MAOB
SCHEMBL2832873 0.86 KCNH2 (0.59) KCNH2MAOBSCN3ASCN1ASCN4A
SCHEMBL2832497 0.86 KCNH2 (0.59) KCNH2MAOBSCN3ASCN1ASCN4A
SCHEMBL2831540 0.84 KCNH2 (0.51) KCNH2ADAM17MAOBALDH1A1
SCHEMBL2832438 0.84 KCNH2 (0.51) KCNH2ADAM17MAOBALDH1A1
SCHEMBL2837158 0.84 KCNH2 (0.53) KCNH2
SCHEMBL483784 0.81 KCNH2 (0.51) KCNH2FFAR1MMP1ADAM17MAOB
SCHEMBL2832503 0.80 KCNH2 (0.49) KCNH2FFAR1MMP1ADAM17MAOB
SCHEMBL483705 0.78 KCNH2 (0.63) KCNH2FFAR1MMP1ADAM17MAOB
SCHEMBL2835599 0.76 TP53 (0.48) KCNH2ADAM17MAOBALDH1A1MMP13

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-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS 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 (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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885FFAR1 1067/4885MMP1 3314/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885FFAR1 829/4885MMP1 4738/4885

“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.