SCHEMBL21258828

SCHEMBL21258828

O=C(O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3ccc(F)cc3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 14/20 0.37
▸ PTGDR Q13258 3/20 0.37
▸ TARDBP Q13148 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ AGTR2 P50052 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL21258940 0.95 PTGIR (0.35) PTGIR
SCHEMBL21258966 0.92 PTGIR (0.40) PTGIRPTGDR
SCHEMBL21258877 0.92 PTGIR (0.37) PTGIRPTGDRPTGDR2GRM5
SCHEMBL21258961 0.91 PTGIR (0.35) PTGIRPTGDRTARDBP
SCHEMBL21258964 0.91 PTGIR (0.43) PTGIRPTGDRTARDBP
SCHEMBL21258676 0.90 PTGIR (0.38) PTGIRPTGDRPTGDR2NPSR1
SCHEMBL22781926 0.89 MEN1 (0.35) TARDBPAGTR2
SCHEMBL21258693 0.89 PTGDR (0.33) PTGIRPTGDR
SCHEMBL21258705 0.89 PTGIR (0.35) PTGIR
SCHEMBL21258913 0.88 PTGIR (0.35) PTGIRPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST CHINESE PLA GENERAL HOSPITAL (CN) 2021-11-04 — — US disclosed
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 — — US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 — — EP disclosed
WO-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 — — WO 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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR PTGIR 1/4885PTGDR 9/4885TARDBP 4874/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A PTGIR 1/4885PTGDR 29/4885TARDBP 4376/4885

“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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