SCHEMBL19833835

SCHEMBL19833835

CC(Oc1ccc(F)c(F)c1)C1CN(C(=O)c2cc3c(cc2F)OCC(=O)N3)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 7/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ NR3C2 P08235 7/20 0.40
▸ NR3C1 P04150 5/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ OXTR P30559 1/20 0.37
▸ PGR P06401 2/20 0.37
▸ DHODH Q02127 1/20 0.36

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
SCHEMBL19833912 0.90 NR3C2 (0.39) CPS1TRPV1NR3C2NR3C1MAP3K5
SCHEMBL19847887 0.88 NR3C2 (0.40) CPS1TRPV1NR3C2NR3C1MAP3K5
SCHEMBL19834105 0.88 MGLL (0.43) TRPV1NR3C2NR3C1MAP3K5PGR
SCHEMBL22386253 0.88 CPS1 (0.40) CPS1OXTR
SCHEMBL19833934 0.88 NR3C2 (0.42) TRPV1NR3C2NR3C1MAP3K5PGR
SCHEMBL19833873 0.87 MAP3K5 (0.43) TRPV1NR3C2NR3C1MAP3K5PGR
SCHEMBL19833761 0.87 MAP3K5 (0.40) CPS1NR3C2NR3C1MAP3K5OXTR
SCHEMBL19848000 0.86 NR3C2 (0.36) CPS1NR3C2NR3C1MAP3K5OXTR
SCHEMBL19833864 0.86 NR3C2 (0.45) NR3C2NR3C1MAP3K5PGR
SCHEMBL19833759 0.85 MAP3K5 (0.42) TRPV1NR3C2NR3C1MAP3K5PGR

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 CPS1 3945/4885TRPV1 44/4885NR3C2 2434/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT CPS1 3945/4885TRPV1 44/4885NR3C2 2434/4885

“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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