SCHEMBL19833813

SCHEMBL19833813

N#Cc1ccccc1OCC1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.70
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTR1D P28221 3/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ HTR1B P28222 1/20 0.53
▸ USP30 Q70CQ3 1/20 0.50
▸ NR3C2 P08235 7/20 0.49
▸ NR3C1 P04150 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL19833807 0.89 MGLL (0.71) MGLLALOX15TSHRSMN1; SMN2HTR1D
SCHEMBL19833728 0.88 MGLL (0.72) MGLLHTR1DHTR1AHTR1BUSP30
SCHEMBL19834166 0.88 MGLL (0.77) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833739 0.88 MGLL (0.82) MGLLHTR1DHTR1AHTR1BUSP30
SCHEMBL19833988 0.87 MGLL (0.66) MGLLALOX15TSHRSMN1; SMN2HTR1D
SCHEMBL19833760 0.87 MGLL (0.71) MGLLALOX15TSHRSMN1; SMN2HTR1D
SCHEMBL19833997 0.86 MGLL (0.70) MGLLSMN1; SMN2HTR1DHTR1AHTR1B
SCHEMBL19833748 0.86 MGLL (0.68) MGLLHTR1DHTR1AHTR1BUSP30
SCHEMBL19833955 0.85 MGLL (0.71) MGLLHTR1DHTR1AHTR1BUSP30
SCHEMBL19833973 0.85 MGLL (0.65) MGLLHTR1DHTR1AHTR1BUSP30

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 129/4885ALOX15 818/4885TSHR 4657/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885ALOX15 818/4885TSHR 4657/4885

“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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