SCHEMBL19833838

SCHEMBL19833838

CC(C)c1ccc(OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)N4)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.44
▸ MAPT P10636 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ NR3C1 P04150 3/20 0.37
▸ NR3C2 P08235 3/20 0.37
▸ F7 P08709 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL19833830 0.90 MGLL (0.48) MGLLMAPTRXFP1HTR1AHTR1D
SCHEMBL19834071 0.90 MGLL (0.44) MGLLMAPTRXFP1HTR1AHTR1D
SCHEMBL19834019 0.89 MGLL (0.43) MGLLMAPTRXFP1MAP3K5HTR1A
SCHEMBL19834049 0.89 MGLL (0.44) MGLLMAPTRXFP1HTR1AHTR1D
SCHEMBL19834127 0.88 MGLL (0.46) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833878 0.88 MGLL (0.45) MGLLMAPTRXFP1HTR1AHTR1D
SCHEMBL19834130 0.87 MGLL (0.47) MGLLMAPTRXFP1HTR1AHTR1D
SCHEMBL19833763 0.87 CPT1A (0.43) MGLLMAPTRXFP1HTR1AHTR1D
SCHEMBL19834002 0.87 MGLL (0.43) MGLLMAPTRXFP1HTR1AHTR1D
SCHEMBL19834073 0.87 MGLL (0.49) MGLLMAPTHTR1AHTR1DHTR1B

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 129/4885MAPT 9/4885RXFP1 3315/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885MAPT 9/4885RXFP1 3315/4885

“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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