SCHEMBL17455991

SCHEMBL17455991

FC1(F)CN(Cc2ccccc2)CCC1Oc1ccccc1-c1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ CYP46A1 Q9Y6A2 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ GSK3B P49841 4/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17455963 0.82 SMN1; SMN2 (0.52) SCN1ASCN8AMEN1KMT2ASCN9A
SCHEMBL17455914 0.81 MCHR1 (0.52) SCN1ASCN8ASCN9AGSK3BCYP2D6
SCHEMBL17455978 0.74 MCHR1 (0.47) SCN1ASCN8AGSK3BCYP2D6ROCK2
SCHEMBL17455961 0.71 SCN9A (0.50) SCN1ASCN8ASCN9ADRD2DRD4
SCHEMBL17455974 0.70 SMN1; SMN2 (0.50) SCN1ASCN8ACYP46A1SCN9ACYP2D6
SCHEMBL17109799 0.69 ACHE (0.44) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL17456038 0.69 SCN9A (0.50) SCN8ACYP46A1SCN9ACYP2D6SMN1; SMN2
SCHEMBL17455938 0.67 SMN1; SMN2 (0.57) MEN1KMT2ASCN9AROCK2SMN1; SMN2
SCHEMBL17456019 0.66 SCN5A (0.38) SCN9A
SCHEMBL28894042 0.66 HTR2A (0.44) MEN1KMT2ACYP2D6SMN1; SMN2

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 SCN1A 14/4885SCN8A 184/4885CYP46A1 915/4885

“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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