SCHEMBL21258684

SCHEMBL21258684

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccc(Cl)cc3)c3ccc(F)cn3)n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.32
▸ TACR3 P29371 1/20 0.31
▸ MDM4 O15151 1/20 0.30
▸ MDM2 Q00987 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
SCHEMBL21258998 0.92 CKS1B (0.35) —
SCHEMBL21258659 0.91 HTR1A (0.31) CNR1
SCHEMBL21258722 0.90 CKS1B (0.35) CNR1MDM2
SCHEMBL21258997 0.90 ALDH1A1 (0.34) CNR1
SCHEMBL21258687 0.89 PTGIR (0.36) CNR1TACR3MDM2
SCHEMBL21258886 0.88 MEN1 (0.35) CNR1
SCHEMBL21258949 0.87 MEN1 (0.31) —
SCHEMBL21258960 0.87 HTR1A (0.35) —
SCHEMBL22781926 0.86 MEN1 (0.35) —
SCHEMBL21258713 0.85 CKS1B (0.35) —

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 CNR1 69/4885TACR3 473/4885MDM4 4883/4885

“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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