SCHEMBL17535534

SCHEMBL17535534

COC(=O)c1cc(C2CC2)c(N2CCC(F)(F)CC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.40
SCN5A Q14524 2/20 0.39
WHR1 P49842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL17535668 0.93 CNR2 (0.39) SCN9ASCN5AWHR1FFAR4SCN10A
SCHEMBL16056964 0.90 SCN9A (0.40) SCN9ASCN5AFFAR4SCN10A
SCHEMBL17535766 0.89 SCN9A (0.41) SCN9ASCN5ASCN10A
SCHEMBL16056619 0.85 KDM4E (0.46) GAA
SCHEMBL17535813 0.82 WHR1 (0.38) WHR1FFAR4SCN10AGAA
SCHEMBL17535348 0.79 ALDH1A1 (0.51) WHR1FFAR4GAA
SCHEMBL17535914 0.78 SCN9A (0.39) SCN9ASCN5AFFAR4SCN10A
SCHEMBL17535506 0.78 GAA (0.40) SCN9ASCN5AGAA
SCHEMBL17535682 0.77 SCN9A (0.40) SCN9ASCN5AFFAR4SCN10A
SCHEMBL17535415 0.76 NR1I2 (0.35) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US 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 (1 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 SCN9A 771/4885SCN5A 111/4885WHR1 4081/4885

“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.