SCHEMBL3601098

SCHEMBL3601098

COc1ccc(O)c(C2C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccc(F)cc32)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.42
GNRHR P30968 7/20 0.37
SLC6A4 P31645 2/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
SCN7A Q01118 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL3601900 0.81 SCN9A (0.46) SCN9AGNRHRCACNA1GCACNA1HCACNA1I
SCHEMBL3611384 0.81 SCN9A (0.45) SCN9AGNRHRCACNA1GCACNA1HCACNA1I
SCHEMBL3601991 0.76 SCN9A (0.55) SCN9AGNRHRSCN7ASCN5ASCN2A
SCHEMBL281608 0.76 SCN9A (0.44) SCN9AGNRHRSLC6A4SCN7ASCN5A
SCHEMBL3607388 0.74 SCN9A (0.53) SCN9AGNRHRSCN7ASCN5ASCN2A
SCHEMBL3595257 0.74 SCN9A (0.52) SCN9AGNRHRCACNA1GCACNA1HCACNA1I
SCHEMBL14221336 0.72 SCN9A (0.50) SCN9AGNRHRCACNA1GCACNA1HCACNA1I
SCHEMBL3597197 0.70 SCN9A (0.46) SCN9AGNRHRCACNA1GCACNA1HCACNA1I
SCHEMBL27703287 0.70 SCN9A (0.34) SCN9AGNRHRSLC6A4SCN7ASCN5A
SCHEMBL3644575 0.69 SCN9A (0.47) SCN9AGNRHRSLC6A4SCN7ASCN5A

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-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2011-12-01 US disclosed
US-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
CN-101627039-A Spiro (furo [3, 2-c] pyridine-3-3 ' -indol) -2' (1'h)-one derivatives and related compounds for the treatment of sodium-channel mediated diseases, such as pain XENON PHARMACEUTICALS INC 2010-01-13 CN disclosed
EP-2076514-A1 SPIRO (FURO Ý3, 2-C¨PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2009-07-08 EP disclosed
WO-2008046049-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2008-04-17 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-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B SCN9A 38/4885GNRHR 2436/4885SLC6A4 245/4885
US-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B SCN9A 38/4885GNRHR 2436/4885SLC6A4 245/4885

“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.