SCHEMBL21258721

SCHEMBL21258721

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3cc(Cl)ccn3)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.34
▸ CKS1B P61024 4/20 0.34
▸ SKP1 P63208 4/20 0.34
▸ SKP2 Q13309 4/20 0.34
▸ CYP11B2 P19099 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.31
▸ USP1 O94782 2/20 0.31
▸ PGK1 P00558 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ CNR1 P21554 3/20 0.30
▸ TPH1 P17752 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
SCHEMBL21258710 0.91 ALDH1A1 (0.33) CKS1BSKP1SKP2CYP11B2
SCHEMBL21259000 0.90 CKS1B (0.36) CKS1BSKP1SKP2CYP11B2ACHE
SCHEMBL21258696 0.90 GRM5 (0.38) GRM5OPRD1KCNH2CNR1
SCHEMBL21258729 0.90 GRM5 (0.34) GRM5OPRD1KCNH2CNR1TPH1
SCHEMBL21258722 0.90 CKS1B (0.35) CKS1BSKP1SKP2CYP11B2USP1
SCHEMBL21258886 0.89 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2RORC
SCHEMBL21258939 0.89 CKS1B (0.38) CKS1BSKP1SKP2CYP11B2ACHE
SCHEMBL21258997 0.89 ALDH1A1 (0.34) CKS1BSKP1SKP2CYP11B2USP1
SCHEMBL21258998 0.86 CKS1B (0.35) CKS1BSKP1SKP2CYP11B2USP1
SCHEMBL21258713 0.86 CKS1B (0.35) CKS1BSKP1SKP2CYP11B2USP1

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 GRM5 234/4885CKS1B 3575/4885SKP1 2875/4885

“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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