SCHEMBL18084397

SCHEMBL18084397

CB(O)N1CC(F)(F)CCC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
EPHX2 P34913 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRIK3 Q13003 1/20 0.30
GRIK5 Q16478 1/20 0.30

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
SCHEMBL12295029 0.86 GRIK1 (0.34) GRM2GRM3GRIK1GRIK2GRIK3
SCHEMBL18084390 0.84 PEPD (0.36) EPHX2
SCHEMBL29475199 0.77 EPHX2 (0.33) GRM2GRM3EPHX2
SCHEMBL18921018 0.77 EPHX2 (0.33) GRM2GRM3EPHX2
SCHEMBL11990382 0.74 ACE (0.32)
SCHEMBL8227865 0.72 ACE (0.41)
SCHEMBL85497 0.72 ACE (0.41)
SCHEMBL11990391 0.72 ACE (0.41)
SCHEMBL18084396 0.71 PEPD (0.36)
SCHEMBL11990446 0.71 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776964-B2 Phenoxyethyl cyclic amine derivatives and their activity as EP4 receptor modulators ELI LILLY AND COMPANY (US) 2017-10-03 US disclosed
US-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators ELI LILLY AND COMPANY (US) 2016-09-22 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-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators PTGER4, PTGER1, GPR4 GRM2 504/4885GRM3 314/4885EPHX2 552/4885

“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.