SCHEMBL19834068

SCHEMBL19834068

O=C1COc2ncc(C(=O)N3CCC(COc4ccccc4)CC3)cc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.70
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ CHEK2 O96017 2/20 0.47
▸ HTR1D P28221 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ NR3C2 P08235 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CPT1A P50416 3/20 0.41
▸ CPT2 P23786 2/20 0.40
▸ CPT1B Q92523 2/20 0.40
▸ OXTR P30559 1/20 0.40
▸ AVPR1A P37288 1/20 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
SCHEMBL19834140 0.95 MGLL (0.63) MGLLGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19834165 0.91 MGLL (0.73) MGLLGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19833738 0.91 MGLL (0.68) MGLLCHEK2HTR1DHTR1AHTR1B
SCHEMBL19834012 0.91 MGLL (0.58) MGLLGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19833860 0.90 MGLL (0.70) MGLLGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19834145 0.90 MGLL (0.65) MGLLCHEK2HTR1DHTR1AHTR1B
SCHEMBL19833956 0.89 MGLL (0.66) MGLLCHEK2HTR1DHTR1AHTR1B
SCHEMBL19834151 0.88 MGLL (0.67) MGLLCHEK2HTR1DHTR1AHTR1B
SCHEMBL19833808 0.88 MGLL (0.69) MGLLGRIN2BCHEK2HTR1DHTR1A
SCHEMBL19833754 0.88 MGLL (0.84) MGLLHTR1DHTR1AHTR1BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP claimed
US-10106556-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-23 — — US claimed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — US claimed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP claimed
EP-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
US-10106556-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-23 — — US disclosed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — US disclosed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP 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-20180079756-A1 HETEROCYCLIC COMPOUND MAG, ACHE, HTT MGLL 129/4885GRIN2D 166/4885GRIN3B 108/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885GRIN2D 166/4885GRIN3B 108/4885

“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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