SCHEMBL21258858

SCHEMBL21258858

CC(C)(C)OC(=O)COCC1CCN(c2cncc(N(c3ccccc3)c3ccc(OC(F)(F)F)cc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 9/20 0.40
▸ CHRM4 P08173 4/20 0.40
▸ CKS1B P61024 3/20 0.39
▸ SKP1 P63208 3/20 0.39
▸ SKP2 Q13309 3/20 0.39
▸ CCR5 P51681 1/20 0.36
▸ PTGDR Q13258 1/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ MCHR2 Q969V1 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL21258969 0.93 PTGIR (0.43) PTGIRCHRM4CKS1BSKP1SKP2
SCHEMBL21258988 0.92 CKS1B (0.44) PTGIRCKS1BSKP1SKP2PTGDR
SCHEMBL21258941 0.91 PTGIR (0.44) PTGIRCKS1BSKP1SKP2PTGDR
SCHEMBL21258912 0.90 PTGIR (0.42) PTGIRCKS1BSKP1SKP2PTGDR
SCHEMBL21258855 0.90 PTGIR (0.49) PTGIRCHRM4PTGDR
SCHEMBL21258995 0.90 CKS1B (0.38) PTGIRCHRM4CKS1BSKP1SKP2
SCHEMBL21258986 0.89 PTGIR (0.42) PTGIRCKS1BSKP1SKP2PTGDR
SCHEMBL21258657 0.88 PTGIR (0.43) PTGIRCKS1BSKP1SKP2PTGDR
SCHEMBL21258910 0.87 PTGIR (0.42) PTGIRCKS1BSKP1SKP2PTGDR
SCHEMBL21258862 0.87 PTGIR (0.44) PTGIRCKS1BSKP1SKP2PTGDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1406/4885CKS1B 3575/4885

“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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