SCHEMBL21258899

SCHEMBL21258899

COc1cccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 4/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ RET P07949 1/20 0.33

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
SCHEMBL21258676 0.92 PTGIR (0.38) PTGIRPTGDRMAPTNPC1ALDH1A1
SCHEMBL21258669 0.91 AKT1 (0.33) PTGIRPTGDRFFAR4KDM4ERET
SCHEMBL21258711 0.91 PTGIR (0.37) PTGIRPTGDRFFAR4MAPTNPC1
SCHEMBL21258946 0.91 CKS1B (0.33) PTGIRPTGDRFFAR4MAPTNPC1
SCHEMBL21258940 0.90 PTGIR (0.35) PTGIRALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL21258966 0.89 PTGIR (0.40) PTGIRPTGDROPRM1RET
SCHEMBL21258925 0.88 PTGIR (0.35) PTGIRPTGDRMAPTNPC1ALDH1A1
SCHEMBL21258828 0.86 PTGIR (0.37) PTGIRPTGDR
SCHEMBL21258877 0.85 PTGIR (0.37) PTGIRPTGDRTDP1
SCHEMBL21258913 0.84 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 9/4885FFAR4 177/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A PTGIR 1/4885PTGDR 29/4885FFAR4 567/4885

“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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