SCHEMBL21258972

SCHEMBL21258972

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.34
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ MCHR1 Q99705 3/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ ABHD6 Q9BV23 2/20 0.32
▸ DAGLA Q9Y4D2 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ CCR6 P51684 1/20 0.31

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
SCHEMBL21258939 0.93 CKS1B (0.38) CKS1BSKP1SKP2CYP11B2GPR119
SCHEMBL21258681 0.92 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2LIPE
SCHEMBL22781926 0.91 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2
SCHEMBL21258705 0.90 PTGIR (0.35) CHRM4CCR5MMP2NR1H4MCHR1
SCHEMBL21258691 0.90 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2NR1H4
SCHEMBL21258886 0.90 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2
SCHEMBL21258946 0.87 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2
SCHEMBL21258967 0.87 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2
SCHEMBL21259007 0.86 CKS1B (0.34) CHRM4CKS1BSKP1SKP2CYP11B2
SCHEMBL21259000 0.86 CKS1B (0.36) CKS1BSKP1SKP2CYP11B2GPR119

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 CHRM4 1406/4885CKS1B 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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