SCHEMBL19833739

SCHEMBL19833739

O=C1COc2ccc(C(=O)N3CCC(COc4ccccc4Cl)CC3)cc2N1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.82
▸ HTR1D P28221 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ CASP3 P42574 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ TRPV1 Q8NER1 2/20 0.49
▸ NR3C2 P08235 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.45

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
SCHEMBL19833736 0.91 MGLL (0.89) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19834081 0.91 MGLL (1.00) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833885 0.90 MGLL (0.84) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19834166 0.89 MGLL (0.77) MGLLHTR1DHTR1AHTR1BTRPV1
SCHEMBL19833728 0.89 MGLL (0.72) MGLLHTR1DHTR1AHTR1BTRPV1
SCHEMBL19833983 0.89 MGLL (0.81) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833760 0.89 MGLL (0.71) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19834016 0.88 MGLL (0.78) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833813 0.88 MGLL (0.70) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833997 0.88 MGLL (0.70) MGLLHTR1DHTR1AHTR1BNR3C2

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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