SCHEMBL19833754

SCHEMBL19833754

O=C1COc2ncc(C(=O)N3CCC(COc4ccccc4Cl)CC3)cc2N1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 16/20 0.84
▸ HTR1D P28221 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 1/20 0.41

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
SCHEMBL19833888 0.93 MGLL (0.79) MGLLHTR1DHTR1AHTR1BMEN1
SCHEMBL19834065 0.92 MGLL (0.89) MGLLHTR1DHTR1AHTR1BMEN1
SCHEMBL19834028 0.92 MGLL (1.00) MGLL
SCHEMBL19833902 0.91 MGLL (0.78) MGLLHTR1DHTR1AHTR1BMEN1
SCHEMBL19833918 0.91 MGLL (0.86) MGLLHTR1DHTR1AHTR1BMEN1
SCHEMBL19834060 0.90 MGLL (0.73) MGLLHTR1DHTR1AHTR1B
SCHEMBL19833841 0.88 MGLL (0.74) MGLLHTR1DHTR1AHTR1B
SCHEMBL19834068 0.88 MGLL (0.70) MGLLHTR1DHTR1AHTR1BMEN1
SCHEMBL19834054 0.87 MGLL (0.74) MGLLHTR1DHTR1AHTR1BMEN1
SCHEMBL19833739 0.86 MGLL (0.82) MGLLHTR1DHTR1AHTR1B

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 129/4885HTR1D 567/4885HTR1A 381/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885HTR1D 567/4885HTR1A 381/4885

“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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