SCHEMBL21258960

SCHEMBL21258960

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccc(F)cc3)c3ccccn3)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.35
▸ ADRA1A P35348 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ HTR1D P28221 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ HTR2B P41595 2/20 0.33

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
SCHEMBL21259000 0.95 CKS1B (0.36) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL21258997 0.93 ALDH1A1 (0.34) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL21258981 0.93 ALDH1A1 (0.34) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL21258717 0.93 HSD17B10 (0.37) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL22781926 0.91 MEN1 (0.35) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL21258998 0.90 CKS1B (0.35) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL21258710 0.89 ALDH1A1 (0.33) HTR1ACYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL21258961 0.89 PTGIR (0.35) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL21258684 0.87 CNR1 (0.32) —
SCHEMBL21258939 0.87 CKS1B (0.38) GPR119CKS1BSKP1SKP2CYP11B2

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 HTR1A 295/4885ADRA1A 42/4885CYP3A4 1351/4885

“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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