SCHEMBL17456059

SCHEMBL17456059

c1ccc(CN2CCC(Oc3ncncc3-c3ccncc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.59
▸ SCN5A Q14524 11/20 0.53
▸ KCNH2 Q12809 5/20 0.53
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL17455938 0.81 SMN1; SMN2 (0.57) SCN9ASCN5AKCNH2ROCK1
SCHEMBL4125911 0.77 HRH3 (0.65) SCN9ASCN5AKCNH2ROCK1
SCHEMBL17455920 0.76 CYP46A1 (0.57) SCN9ASCN5AKCNH2ROCK1
SCHEMBL17455994 0.76 CYP11B1 (0.55) SCN9AROCK1
SCHEMBL17455966 0.75 SCN9A (0.52) SCN9ASCN5AKCNH2
SCHEMBL17455967 0.75 SCN9A (0.51) SCN9A
SCHEMBL17455968 0.75 SMN1; SMN2 (0.53) SCN9ASCN5AKCNH2ROCK1
SCHEMBL17455985 0.75 SMN1; SMN2 (0.50) SCN9AROCK1
SCHEMBL17455963 0.74 SMN1; SMN2 (0.52) SCN9ASCN5AKCNH2ROCK1
SCHEMBL4110851 0.74 SCN9A (0.59) SCN9ASCN5AKCNH2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 SCN9A 565/4885SCN5A 44/4885KCNH2 706/4885

“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.

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