SCHEMBL19205396

SCHEMBL19205396

CC1(COc2ccc(F)cc2C2CCCC2)CCN(C(=O)CC(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.54
PTGDR Q13258 5/20 0.46
RBP4 P02753 2/20 0.44
SCN9A Q15858 4/20 0.41
MGLL Q99685 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
PTGER2 P43116 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 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
SCHEMBL19205362 0.89 PTGDR2 (0.46) PTGDR2PTGDRSCN9AMGLLCHRM2
SCHEMBL19205325 0.87 PTGDR2 (0.55) PTGDR2PTGDRRBP4SCN9ACHRM2
SCHEMBL19205400 0.86 PTGDR2 (0.48) PTGDR2PTGDRSCN9AMGLL
SCHEMBL19205343 0.78 PTGDR2 (0.46) PTGDR2PTGDRSCN9ACHRM2CHRM4
SCHEMBL19205468 0.76 RBP4 (0.70) PTGDR2PTGDRRBP4MGLLPTGER2
SCHEMBL19205379 0.74 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL19205312 0.74 PTGDR2 (0.48) PTGDR2PTGDRCCNT1CDK9
SCHEMBL4886140 0.72 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
Hydrochloric Acid SCHEMBL19205326 0.71 SLC6A2 (0.48) PTGDR2PTGDRSCN9A
SCHEMBL19291092 0.71 PTGDR2 (0.48) PTGDR2PTGDRSCN9ACHRM2CHRM4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210971-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-16 EP disclosed
EP-3210971-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-16 EP disclosed
US-9944596-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US disclosed
US-9944596-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US disclosed
US-9944596-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US disclosed
EP-3210971-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
EP-3210971-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
US-20170233339-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-17 US 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 (1 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-20170233339-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RARA PTGDR2 3817/4885PTGDR 4026/4885RBP4 1/4885

“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.