SCHEMBL19834145

SCHEMBL19834145

COc1cccc(OCC2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.65
▸ HTR1A P08908 2/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CHEK2 O96017 1/20 0.39
▸ NR3C2 P08235 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 0.92 MGLL (0.68) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19834068 0.90 MGLL (0.70) MGLLHTR1AHTR1DHTR1BKMT2A
SCHEMBL19833860 0.90 MGLL (0.70) MGLLHTR1AHTR1DHTR1BKMT2A
SCHEMBL19834060 0.87 MGLL (0.73) MGLLHTR1AHTR1DHTR1BCYP2C9
SCHEMBL19834140 0.87 MGLL (0.63) MGLLHTR1AHTR1DHTR1BNPC1
SCHEMBL19833808 0.86 MGLL (0.69) MGLLHTR1AHTR1DHTR1BRAB9A
SCHEMBL19834165 0.85 MGLL (0.73) MGLLHTR1AHTR1DHTR1BNPC1
SCHEMBL19834151 0.83 MGLL (0.67) MGLLHTR1AHTR1DHTR1BKMT2A
SCHEMBL19833888 0.82 MGLL (0.79) MGLLHTR1AHTR1DHTR1BKMT2A
SCHEMBL19833754 0.82 MGLL (0.84) MGLLHTR1AHTR1DHTR1BKMT2A

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

“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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