SCHEMBL21258877

SCHEMBL21258877

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 9/20 0.37
▸ PTGDR Q13258 2/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ CNR1 P21554 2/20 0.34
▸ HRH1 P35367 3/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL21258940 0.94 PTGIR (0.35) PTGIRTDP1
SCHEMBL21258828 0.92 PTGIR (0.37) PTGIRPTGDRPTGDR2GRM5
SCHEMBL21258923 0.92 CYP3A4 (0.36) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL21258656 0.91 PTGIR (0.42) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL21258676 0.89 PTGIR (0.38) PTGIRPTGDRKCNH2USP2PTGDR2
SCHEMBL21258886 0.89 MEN1 (0.35) CNR1
SCHEMBL21258696 0.88 GRM5 (0.38) PTGIRPTGDRCNR1HRH1HTR2A
SCHEMBL21258687 0.88 PTGIR (0.36) PTGIRPTGDRCNR1
SCHEMBL21258705 0.88 PTGIR (0.35) PTGIRNR1H4
SCHEMBL21258966 0.88 PTGIR (0.40) 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 1/4885PTGDR 9/4885PTGER1 4/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A PTGIR 1/4885PTGDR 29/4885PTGER1 8/4885

“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.

Send feedback