SCHEMBL19834063

SCHEMBL19834063

Cc1cc(C)c(OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)N4)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.48
▸ HTR1D P28221 10/20 0.42
▸ HTR1A P08908 9/20 0.42
▸ HTR1B P28222 8/20 0.42
▸ ADRB1 P08588 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAP3K5 Q99683 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
SCHEMBL19834158 0.87 MGLL (0.48) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833744 0.87 MGLL (0.54) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833716 0.86 MGLL (0.48) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19834167 0.86 MGLL (0.49) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19834075 0.86 MGLL (0.51) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19834118 0.84 MGLL (0.49) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833998 0.84 MGLL (0.47) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833766 0.84 MGLL (0.50) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833978 0.83 MGLL (0.43) MGLLHTR1DHTR1AHTR1BDRD2
SCHEMBL19834064 0.83 MGLL (0.43) MGLLHTR1DHTR1AHTR1BMEN1

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 129/4885HTR1D 567/4885HTR1A 381/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885HTR1D 567/4885HTR1A 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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