SCHEMBL21258712

SCHEMBL21258712

Cc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 14/20 0.37
▸ OPRM1 P35372 1/20 0.34
▸ PTGIR P43119 5/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 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
SCHEMBL21258964 0.91 PTGIR (0.43) PTGIR
SCHEMBL21258713 0.90 CKS1B (0.35) HTR1AOPRM1
SCHEMBL23656082 0.90 HSD17B10 (0.36) OPRM1PTGIR
SCHEMBL21258925 0.90 PTGIR (0.35) PTGIR
SCHEMBL21258656 0.90 PTGIR (0.42) HTR1APTGIR
SCHEMBL21258940 0.89 PTGIR (0.35) PTGIR
SCHEMBL21258959 0.89 PTGIR (0.38) HTR1AOPRM1PTGIRDRD4
SCHEMBL24863729 0.88 HTR1A (0.32) HTR1A
SCHEMBL21258828 0.85 PTGIR (0.37) PTGIR
SCHEMBL21258676 0.84 PTGIR (0.38) PTGIR

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 HTR1A 295/4885OPRM1 341/4885PTGIR 1/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A HTR1A 406/4885OPRM1 289/4885PTGIR 1/4885

“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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