SCHEMBL19834012

SCHEMBL19834012

O=C1COc2ncc(C(=O)N3CC(COc4ccccc4)C3)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.58
▸ NR3C2 P08235 1/20 0.45
▸ HTR1A P08908 3/20 0.40
▸ HTR1D P28221 3/20 0.40
▸ HTR1B P28222 3/20 0.40
▸ CPT1A P50416 3/20 0.39
▸ CPT2 P23786 2/20 0.38
▸ CPT1B Q92523 2/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ OXTR P30559 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 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
SCHEMBL19834140 0.93 MGLL (0.63) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19834068 0.91 MGLL (0.70) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19833963 0.89 MGLL (0.54) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19834107 0.82 MGLL (0.59) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19833738 0.81 MGLL (0.68) MGLLHTR1AHTR1DHTR1BCHEK2
SCHEMBL19834165 0.81 MGLL (0.73) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19833860 0.81 MGLL (0.70) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19834145 0.81 MGLL (0.65) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19833956 0.80 MGLL (0.66) MGLLNR3C2HTR1AHTR1DHTR1B
SCHEMBL19834151 0.79 MGLL (0.67) MGLLNR3C2HTR1AHTR1DHTR1B

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 2434/4885HTR1A 381/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885NR3C2 2434/4885HTR1A 381/4885

“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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