SCHEMBL17048680

SCHEMBL17048680

FC(F)(F)c1cc(OCc2ccccc2)cc(N2CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
SOS1 Q07889 2/20 0.45
SPHK1 Q9NYA1 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
LTA4H P09960 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ADRB1 P08588 1/20 0.41
MAOB P27338 5/20 0.41
NR4A2 P43354 1/20 0.40
MAOA P21397 2/20 0.40

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
SCHEMBL17048646 0.83 S1PR1 (0.43) SOS1SPHK1MRGPRX4RXRARXRB
SCHEMBL18882728 0.79 GRM5 (0.59) HRH3LTA4HMAOB
SCHEMBL17048558 0.77 MRGPRX4 (0.48) MRGPRX4MAOBNR4A2
SCHEMBL31414462 0.77 MRGPRX4 (0.48) MRGPRX4MAOBNR4A2
SCHEMBL4279566 0.76 MAOB (0.57) MRGPRX4MAOBNR4A2MAOA
SCHEMBL21958646 0.76 GRM5 (0.51) MRGPRX4MAOBNR4A2
SCHEMBL9228037 0.76 MAOB (0.57) MRGPRX4MAOBNR4A2
SCHEMBL23536709 0.74 MAOB (0.48) MRGPRX4MAOBNR4A2
SCHEMBL5764984 0.74 NR4A2 (0.50) SPHK1MRGPRX4RXRARXRBRXRG
SCHEMBL15880914 0.74 MAOB (0.48) SPHK1MRGPRX4MAOBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S SIGMAR1 1457/4885SOS1 116/4885SPHK1 1452/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SIGMAR1 1525/4885SOS1 164/4885SPHK1 1808/4885

“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.