SCHEMBL19834164

SCHEMBL19834164

CC(C)(C)c1ccc(OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)N4)C2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.54
▸ RBP4 P02753 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL19833782 0.93 MGLL (0.55) MGLLTRPV1
SCHEMBL19834079 0.90 MGLL (0.57) MGLLPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19833794 0.89 MGLL (0.67) MGLL
SCHEMBL19833726 0.89 MGLL (0.58) MGLLRBP4TP53MAPTADRB1
SCHEMBL19834066 0.88 MGLL (0.57) MGLLTP53ADRB1HTR1ADRD2
SCHEMBL19833732 0.88 MGLL (0.63) MGLLPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19833711 0.87 MGLL (0.57) MGLLTRPV1ALDH1A1TP53LMNA
SCHEMBL19833959 0.86 MGLL (0.55) MGLLTP53DRD2DRD3
SCHEMBL19833768 0.85 MGLL (0.47) MGLLTRPV1ADRB1HTR1ADRD2
SCHEMBL19833999 0.85 MGLL (0.53) MGLLRBP4POLBTP53ADRB1

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 129/4885RBP4 4756/4885TRPV1 44/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885RBP4 4756/4885TRPV1 44/4885

“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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