SCHEMBL21258705

SCHEMBL21258705

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.35
▸ CHRM4 P08173 4/20 0.35
▸ NR1H4 Q96RI1 3/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MCHR1 Q99705 3/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ SERPINE1 P05121 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 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 0.91 PTGIR (0.35) PTGIR
SCHEMBL21258972 0.90 CHRM4 (0.34) CHRM4NR1H4MMP2MCHR1LIPE
SCHEMBL21258676 0.90 PTGIR (0.38) PTGIRLIPE
SCHEMBL21258828 0.89 PTGIR (0.37) PTGIR
SCHEMBL21258693 0.88 PTGDR (0.33) PTGIRFFAR4
SCHEMBL21258877 0.88 PTGIR (0.37) PTGIRNR1H4
SCHEMBL23655437 0.88 PTGIR (0.32) PTGIRNR1H4MMP2MCHR1PPARD
SCHEMBL21258966 0.84 PTGIR (0.40) PTGIR
SCHEMBL21258899 0.84 PTGIR (0.39) PTGIRFFAR4
SCHEMBL21258855 0.84 PTGIR (0.49) PTGIRCHRM4

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 1/4885CHRM4 1406/4885NR1H4 171/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A PTGIR 1/4885CHRM4 1046/4885NR1H4 203/4885

“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