SCHEMBL17456056

SCHEMBL17456056

c1ccc(-c2ccncc2)c(OC2CCN(Cc3cocn3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.49
▸ SCN1A P35498 1/20 0.42
▸ SCN8A Q9UQD0 1/20 0.42
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH1 P35367 1/20 0.37
▸ SRPK1 Q96SB4 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SCD O00767 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
SCHEMBL17455983 0.84 ALDH1A1 (0.50) SCN9ASCN8ASMN1; SMN2ALDH1A1DRD4
SCHEMBL17455938 0.80 SMN1; SMN2 (0.57) SCN9ASMN1; SMN2HRH1SIGMAR1
SCHEMBL17455950 0.78 CHRM3 (0.49) SMN1; SMN2HRH1ALDH1A1IKBKBCHUK
SCHEMBL17456016 0.77 HRH1 (0.43) SMN1; SMN2HRH1IKBKBCHUKSIGMAR1
SCHEMBL17455967 0.76 SCN9A (0.51) SCN9ASCN8ASMN1; SMN2ALDH1A1DRD4
SCHEMBL17455948 0.76 SCN9A (0.52) SCN9ASMN1; SMN2HRH1ALDH1A1IKBKB
SCHEMBL17456058 0.74 SCN9A (0.49) SCN9ASMN1; SMN2IKBKBCHUKDRD4
SCHEMBL17455954 0.73 ALDH1A1 (0.48) SCN9ASCN8ASMN1; SMN2ALDH1A1DRD4
SCHEMBL17456031 0.73 SMN1; SMN2 (0.49) SCN1ASMN1; SMN2HRH1ALDH1A1IKBKB
SCHEMBL17455985 0.72 SMN1; SMN2 (0.50) SCN9ASCN1ASCN8ASMN1; SMN2ALDH1A1

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 565/4885SCN1A 14/4885SCN8A 184/4885

“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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