SCHEMBL18580252

SCHEMBL18580252

COC(=O)C1CN(c2cccc(-c3cc(C(F)(F)F)ccc3OCc3ccccc3)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.51
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.47
S1PR1 P21453 3/20 0.45
S1PR5 Q9H228 3/20 0.45
CYP2C9 P11712 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.43
LRRK2 Q5S007 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL17027210 0.92 S1PR5 (0.53) PTGER1RXRARXRBRXRGPTGDR2
SCHEMBL18580782 0.87 PTGDR2 (0.45) PTGER1PTGDR2
SCHEMBL18581366 0.86 PTGDR2 (0.48) PTGDR2
SCHEMBL17034159 0.86 S1PR1 (0.50) PTGER1RXRARXRBRXRGPTGDR2
SCHEMBL17034083 0.85 S1PR5 (0.53) PTGER1RXRARXRBRXRGPTGDR2
SCHEMBL17034172 0.85 MRGPRX4 (0.48) PTGER1RXRARXRBRXRGPTGDR2
SCHEMBL17034174 0.84 S1PR5 (0.55) PTGER1RXRARXRBRXRGPTGDR2
SCHEMBL17034162 0.83 CYP11B1 (0.52) PTGER1RXRARXRBRXRGPTGDR2
SCHEMBL17034082 0.82 S1PR5 (0.47) PTGER1RXRARXRBRXRGPTGDR2
SCHEMBL17034177 0.82 NOTUM (0.51) PTGER1PTGDR2S1PR1S1PR5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 PTGER1 190/4885RXRA 257/4885RXRB 348/4885

“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.