SCHEMBL1908225

SCHEMBL1908225

CCCCCc1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.52
SCN8A Q9UQD0 1/20 0.49
CNR1 P21554 1/20 0.49
ACHE P22303 1/20 0.49
CNR2 P34972 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
ADRA1A P35348 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GUCY1B2 O75343 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
GUCY1A2 P33402 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL30728962 0.90 SLC16A3 (0.55) SLC16A3SCN8ACNR1ACHECNR2
SCHEMBL13098269 0.87 CNR1 (0.52) SLC16A3SCN8ACNR1ACHECNR2
SCHEMBL1897464 0.85 SCN8A (0.55) SLC16A3SCN8ACNR1ACHECNR2
SCHEMBL3049374 0.84 ADRA1A (0.49) CNR1CNR2CYP1A2ADRA1APDE4A
SCHEMBL8373357 0.83 SLC16A3 (0.58) SLC16A3SCN8ACNR1ACHECNR2
SCHEMBL3426837 0.81 SLC16A3 (0.55) SLC16A3SCN8ACNR1ACHECNR2
SCHEMBL1902310 0.81 SLC16A3 (0.47) SLC16A3SCN8ACNR1ACHECNR2
SCHEMBL19676478 0.80 CHRM1 (0.46) SLC16A3CNR1ACHECNR2KDM4E
SCHEMBL29562238 0.79 CNR1 (0.56) SLC16A3SCN8ACNR1ACHECNR2
SCHEMBL928072 0.79 CNR1 (0.56) SLC16A3SCN8ACNR1ACHECNR2

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
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 US 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 (3 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 SLC16A3 264/4885SCN8A 51/4885CNR1 1104/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C SLC16A3 316/4885SCN8A 41/4885CNR1 1225/4885
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC SLC16A3 4079/4885SCN8A 4808/4885CNR1 1297/4885

“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.