SCHEMBL1902248

SCHEMBL1902248

CC(C)(C)C(=O)NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.71
GAA P10253 6/20 0.71
MAPT P10636 5/20 0.71
ALDH1A1 P00352 4/20 0.71
MAPK1 P28482 4/20 0.71
AGTR1 P30556 1/20 0.71
GRN P28799 3/20 0.69
SORT1 Q99523 3/20 0.69
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
RECQL P46063 1/20 0.62
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
TASP1 Q9H6P5 1/20 0.54
HTR1E P28566 1/20 0.52
S1PR3 Q99500 1/20 0.52

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
SCHEMBL1899837 0.85 NPSR1 (0.85) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL1900130 0.85 GAA (0.69) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL1900301 0.85 GAA (0.80) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL1899487 0.83 GAA (0.76) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL1901656 0.83 NPSR1 (0.72) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL1897764 0.83 GRN (0.72) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL1898164 0.83 NPSR1 (0.89) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL3069753 0.82 GRN (1.00) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL1896635 0.82 NPSR1 (0.72) NPSR1GAAMAPTALDH1A1MAPK1
SCHEMBL13219146 0.81 GRN (0.82) NPSR1GAAMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B NPSR1 1816/4885GAA 2823/4885MAPT 1326/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C NPSR1 1770/4885GAA 2630/4885MAPT 1289/4885

“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.