SCHEMBL1898696

SCHEMBL1898696

CC(C)(C)c1cc(C(=O)Nc2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TASP1 Q9H6P5 1/20 0.81
NPC1 O15118 1/20 0.72
NPSR1 Q6W5P4 8/20 0.66
MAPT P10636 6/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
MAPK1 P28482 4/20 0.60
GAA P10253 4/20 0.60
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
ALDH1A1 P00352 3/20 0.53
AGTR1 P30556 1/20 0.53
GRN P28799 2/20 0.52
SORT1 Q99523 2/20 0.52
HTR1E P28566 1/20 0.52
S1PR3 Q99500 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL1899805 0.94 NPC1 (0.72) TASP1NPC1NPSR1MAPTCRHBP
SCHEMBL1898992 0.91 NPC1 (0.68) TASP1NPC1NPSR1MAPTCRHBP
SCHEMBL10069051 0.90 TASP1 (1.00) TASP1NPC1NPSR1MAPTCRHBP
SCHEMBL1903539 0.88 TASP1 (0.65) TASP1NPC1NPSR1MAPTCRHBP
SCHEMBL1900846 0.86 NPC1 (0.70) TASP1NPC1NPSR1MAPTCRHBP
SCHEMBL1899685 0.85 NPSR1 (0.85) TASP1NPSR1MAPTCRHBPCRHR2
SCHEMBL3064847 0.84 NPC1 (1.00) TASP1NPC1NPSR1MAPTCRHBP
SCHEMBL1898164 0.84 NPSR1 (0.89) TASP1NPSR1MAPTCRHBPCRHR2
SCHEMBL1899142 0.84 NPC1 (0.67) TASP1NPC1NPSR1MAPTCRHBP
SCHEMBL7744999 0.80 TASP1 (0.55) TASP1NPC1NPSR1MAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TASP1 1739/4885NPC1 970/4885NPSR1 1816/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C TASP1 2005/4885NPC1 1008/4885NPSR1 1770/4885

“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.