SCHEMBL19833787

SCHEMBL19833787

O=C1COc2cc(F)c(C(=O)N3CC(COc4cccc(Cl)c4Cl)C3)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.53
▸ HTR1A P08908 5/20 0.40
▸ HTR1D P28221 5/20 0.40
▸ HTR1B P28222 4/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ MALT1 Q9UDY8 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
SCHEMBL19833704 0.93 MGLL (0.53) MGLLHTR1AHTR1DHTR1BTRPV1
SCHEMBL19833711 0.93 MGLL (0.57) MGLLHTR1AHTR1DHTR1BTRPV1
SCHEMBL19833875 0.91 MGLL (0.49) MGLLHTR1ATRPV1DRD2HTR2A
SCHEMBL19833877 0.90 MGLL (0.59) MGLL
SCHEMBL19834138 0.89 MGLL (0.48) MGLLTRPV1TP53CASP3SENP7
SCHEMBL19833794 0.89 MGLL (0.67) MGLL
SCHEMBL19833726 0.87 MGLL (0.58) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19833917 0.87 MGLL (0.52) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19833999 0.86 MGLL (0.53) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19834079 0.86 MGLL (0.57) MGLLHTR1AHTR1DHTR1BDRD2

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 5 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
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

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.

Send feedback