SCHEMBL21258717

SCHEMBL21258717

COc1ccc(N(c2ccccn2)c2cncc(N3CCC(F)(COCC(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.37
▸ HPGD P15428 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR1A P08908 3/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ ADRA1D P25100 2/20 0.32
▸ HTR1D P28221 2/20 0.32

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 0.93 CKS1B (0.36) HSD17B10HPGDALDH1A1SMN1; SMN2CYP2C9
SCHEMBL21258960 0.93 HTR1A (0.35) HSD17B10HPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL21258997 0.92 ALDH1A1 (0.34) HSD17B10HPGDALDH1A1SMN1; SMN2CYP2C9
SCHEMBL21258681 0.92 CKS1B (0.34) HSD17B10HPGDALDH1A1SMN1; SMN2CYP2C9
SCHEMBL21259007 0.90 CKS1B (0.34) HSD17B10HPGDALDH1A1SMN1; SMN2CYP2C9
SCHEMBL21258716 0.90 HSD17B10 (0.39) HSD17B10HPGDALDH1A1SMN1; SMN2CYP2C9
SCHEMBL21258981 0.88 ALDH1A1 (0.34) HSD17B10HPGDALDH1A1SMN1; SMN2CYP2C9
SCHEMBL21258710 0.88 ALDH1A1 (0.33) HSD17B10HPGDALDH1A1SMN1; SMN2CYP2C9
SCHEMBL21258659 0.88 HTR1A (0.31) HTR1AADRA1A
SCHEMBL21258939 0.86 CKS1B (0.38) MAPK1GPR119TSHRCYP11B2CKS1B

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 HSD17B10 648/4885HPGD 119/4885ALDH1A1 987/4885

“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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