SCHEMBL21258963

SCHEMBL21258963

O=C(O)COCC1(F)CCN(c2cncc(N(c3cccc(F)c3)c3ccccn3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 12/20 0.42
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PTGDR Q13258 2/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ CYP2C9 P11712 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL21258959 0.94 PTGIR (0.38) PTGIRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL21258966 0.93 PTGIR (0.40) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL21258961 0.92 PTGIR (0.35) PTGIRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL21258674 0.92 PTGIR (0.34) PTGIRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL21258981 0.90 ALDH1A1 (0.34) PTGIRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL21258982 0.88 ALDH1A1 (0.33) PTGIRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL23656082 0.88 HSD17B10 (0.36) PTGIRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL21258923 0.88 CYP3A4 (0.36) PTGIRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL21258964 0.87 PTGIR (0.43) PTGIRPTGDR
SCHEMBL21258913 0.86 PTGIR (0.35) PTGIRPTGDRPTGER4PTGER3PTGER2

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 1/4885ALDH1A1 987/4885CYP3A4 1351/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A PTGIR 1/4885ALDH1A1 1643/4885CYP3A4 1530/4885

“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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