SCHEMBL19834165

SCHEMBL19834165

O=C1COc2ncc(C(=O)N3CCC(COc4ccc(Cl)cc4)CC3)cc2N1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.73
▸ CHEK2 O96017 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL19833738 0.91 MGLL (0.68) MGLLCHEK2HTR1AHTR1DHTR1B
SCHEMBL19834068 0.91 MGLL (0.70) MGLLCHEK2MEN1KMT2AHTR1A
SCHEMBL19833860 0.91 MGLL (0.70) MGLLCHEK2MEN1KMT2AHTR1A
SCHEMBL19833918 0.89 MGLL (0.86) MGLLMEN1KMT2AHTR1AHTR1D
SCHEMBL19833902 0.89 MGLL (0.78) MGLLMEN1KMT2AHTR1AHTR1D
SCHEMBL19833754 0.86 MGLL (0.84) MGLLMEN1KMT2AHTR1AHTR1D
SCHEMBL19834140 0.86 MGLL (0.63) MGLLCHEK2MEN1KMT2AHTR1A
SCHEMBL19834065 0.85 MGLL (0.89) MGLLMEN1KMT2AHTR1AHTR1D
SCHEMBL19834145 0.85 MGLL (0.65) MGLLCHEK2KMT2AHTR1AHTR1D
SCHEMBL19834028 0.84 MGLL (1.00) MGLLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
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
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
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 129/4885CHEK2 4315/4885MEN1 141/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885CHEK2 4315/4885MEN1 141/4885

“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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