SCHEMBL19833997

SCHEMBL19833997

O=C1COc2ccc(C(=O)N3CCC(COc4cccc5ccccc45)CC3)cc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.70
▸ HTR1A P08908 9/20 0.61
▸ HTR1D P28221 7/20 0.61
▸ HTR1B P28222 5/20 0.61
▸ NR3C2 P08235 3/20 0.47
▸ ADRB1 P08588 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19833739 0.88 MGLL (0.82) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19834166 0.88 MGLL (0.77) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833728 0.88 MGLL (0.72) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833760 0.87 MGLL (0.71) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833755 0.87 MGLL (0.66) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19847892 0.86 MGLL (0.75) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833813 0.86 MGLL (0.70) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833821 0.86 MGLL (0.64) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833748 0.86 MGLL (0.68) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833955 0.85 MGLL (0.71) MGLLHTR1AHTR1DHTR1BNR3C2

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 129/4885HTR1A 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.

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