SCHEMBL19833820

SCHEMBL19833820

COc1ccccc1-c1ccccc1OCC1CN(C(=O)c2cc3c(cc2F)OCC(=O)N3)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.47
▸ HTR1A P08908 7/20 0.40
▸ HTR1D P28221 6/20 0.40
▸ HTR1B P28222 5/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2B P41595 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
SCHEMBL19834114 0.92 MGLL (0.48) MGLLHTR1AHTR1DHTR1BMAP3K5
SCHEMBL19834017 0.90 MGLL (0.54) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19833711 0.87 MGLL (0.57) MGLLHTR1AHTR1DHTR1BMAPT
SCHEMBL19833741 0.87 MGLL (0.47) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19834132 0.87 MGLL (0.47) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19833850 0.86 MGLL (0.50) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19833913 0.86 MGLL (0.49) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19834127 0.85 MGLL (0.46) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833744 0.85 MGLL (0.54) MGLLHTR1AHTR1DHTR1BDRD2
SCHEMBL19833789 0.84 MGLL (0.48) 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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