SCHEMBL19833711

SCHEMBL19833711

O=C1COc2cc(F)c(C(=O)N3CC(COc4ccccc4Cl)C3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.57
▸ TP53 P04637 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ HTR1D P28221 2/20 0.40
▸ HTR1B P28222 2/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL19833704 0.93 MGLL (0.53) MGLLTP53TRPV1CASP3SENP7
SCHEMBL19833787 0.93 MGLL (0.53) MGLLTP53TRPV1CASP3SENP7
SCHEMBL19833877 0.93 MGLL (0.59) MGLL
SCHEMBL19833794 0.92 MGLL (0.67) MGLL
SCHEMBL19833726 0.90 MGLL (0.58) MGLLTP53HTR1AHTR1DHTR1B
SCHEMBL19833917 0.90 MGLL (0.52) MGLLTP53ALDH1A1HTR1AHTR1D
SCHEMBL19848034 0.90 MGLL (0.52) MGLLTP53TRPV1CASP3SENP7
SCHEMBL19833875 0.90 MGLL (0.49) MGLLTP53TRPV1CASP3SENP7
SCHEMBL19834066 0.89 MGLL (0.57) MGLLTP53HTR1AHTR1DHTR1B
SCHEMBL19834079 0.89 MGLL (0.57) MGLLMEN1ALDH1A1KMT2AHTR1A

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 129/4885TP53 1722/4885TRPV1 44/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885TP53 1722/4885TRPV1 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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