SCHEMBL21258660

SCHEMBL21258660

COc1ccc(N(c2ccc(Cl)cc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTC4S Q16873 1/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ PTGIR P43119 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ MCHR1 Q99705 3/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ CACNA1H O95180 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21258925 0.93 PTGIR (0.35) CNR1HRH3PTGIRPTGDR2ALDH1A1
SCHEMBL21258659 0.90 HTR1A (0.31) CNR1HTR1AADRA1AHRH3PTPN11
SCHEMBL21258687 0.90 PTGIR (0.36) CNR1HTR1APTGIRMDM2
SCHEMBL21258656 0.88 PTGIR (0.42) CNR1HTR1APTGIRMDM2ALDH1A1
SCHEMBL21258716 0.87 HSD17B10 (0.39) PTGIRALDH1A1
SCHEMBL21258923 0.86 CYP3A4 (0.36) CNR1PTGIRALDH1A1
SCHEMBL21258676 0.86 PTGIR (0.38) PTGIRPTGDR2ALDH1A1
SCHEMBL21258877 0.86 PTGIR (0.37) CNR1PTGIRPTGDR2
SCHEMBL21259007 0.84 CKS1B (0.34) HRH3ALDH1A1
SCHEMBL21258712 0.83 HTR1A (0.37) HTR1APTGIR

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 LTC4S 367/4885CNR1 69/4885HTR1A 295/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A LTC4S 1008/4885CNR1 146/4885HTR1A 406/4885

“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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