SCHEMBL19834017

SCHEMBL19834017

COc1cc(F)ccc1OCC1CN(C(=O)c2cc3c(cc2F)OCC(=O)N3)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.54
▸ NR3C2 P08235 5/20 0.44
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NR3C1 P04150 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ HTR1D P28221 3/20 0.40
▸ HTR1B P28222 3/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ RBP4 P02753 2/20 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
SCHEMBL19833850 0.93 MGLL (0.50) MGLLLMNAALDH1A1POLBMAPT
SCHEMBL19833744 0.91 MGLL (0.54) MGLLNR3C2MAPTNR3C1PGR
SCHEMBL19833820 0.90 MGLL (0.47) MGLLNR3C2MAPTHTR1AHTR1D
SCHEMBL19833794 0.90 MGLL (0.67) MGLLNR3C2
SCHEMBL19833877 0.89 MGLL (0.59) MGLLNR3C2NR3C1PGR
SCHEMBL19833962 0.87 MGLL (0.62) MGLLNR3C2MAPT
SCHEMBL19834118 0.87 MGLL (0.49) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19834158 0.86 MGLL (0.48) MGLLNR3C2MAPTHTR1AHTR1D
SCHEMBL19833716 0.85 MGLL (0.48) MGLLHTR1AHTR1DHTR1BADRB1
SCHEMBL19833711 0.85 MGLL (0.57) MGLLLMNAALDH1A1MAPTHTR1A

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 2434/4885LMNA 931/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885NR3C2 2434/4885LMNA 931/4885

“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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