SCHEMBL19833706

SCHEMBL19833706

O=C1COc2ccc(C(=O)N3CCC(COc4ccc(Cl)c(F)c4)CC3)cc2N1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.73
▸ NR3C2 P08235 11/20 0.46
▸ NR3C1 P04150 8/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ PGR P06401 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL19834021 0.92 MGLL (0.72) MGLLNR3C2NR3C1HTR1AHTR1D
SCHEMBL19833736 0.87 MGLL (0.89) MGLLNR3C2NR3C1HTR1AHTR1D
SCHEMBL19833718 0.87 MGLL (0.71) MGLLNR3C2NR3C1HTR1AHTR1D
SCHEMBL19833933 0.85 MGLL (0.67) MGLLNR3C2NR3C1HTR1AHTR1D
SCHEMBL19833821 0.85 MGLL (0.64) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19833748 0.85 MGLL (0.68) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19834081 0.85 MGLL (1.00) MGLLNR3C2NR3C1HTR1AHTR1D
SCHEMBL19833832 0.84 MGLL (0.66) MGLLNR3C2NR3C1HTR1AHTR1D
SCHEMBL19833960 0.84 MGLL (0.66) MGLLNR3C2NR3C1HTR1AHTR1D
SCHEMBL19833973 0.84 MGLL (0.65) MGLLNR3C2HTR1AHTR1DHTR1B

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 129/4885NR3C2 2434/4885NR3C1 1340/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885NR3C2 2434/4885NR3C1 1340/4885

“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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