SCHEMBL21258959

SCHEMBL21258959

O=C(O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3ccccn3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 3/20 0.38
▸ HSD17B10 Q99714 7/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ TSHR P16473 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HPGD P15428 4/20 0.35
▸ CYP2D6 P10635 3/20 0.34
▸ AVPR1A P37288 1/20 0.34
▸ OPRM1 P35372 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 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
SCHEMBL21258961 0.95 PTGIR (0.35) PTGIRHSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL21258923 0.94 CYP3A4 (0.36) PTGIRHSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL23656082 0.94 HSD17B10 (0.36) PTGIRHSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL21258963 0.94 PTGIR (0.42) PTGIRHSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL21258674 0.93 PTGIR (0.34) PTGIRHSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL21258716 0.93 HSD17B10 (0.39) PTGIRHSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL21258940 0.92 PTGIR (0.35) PTGIRHSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL21258964 0.90 PTGIR (0.43) PTGIR
SCHEMBL21259000 0.89 CKS1B (0.36) HSD17B10ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL21258656 0.89 PTGIR (0.42) PTGIRALDH1A1SMN1; SMN2KDM4EHTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST CHINESE PLA GENERAL HOSPITAL (CN) 2021-11-04 — — US disclosed
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 (2 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 PTGIR 1/4885HSD17B10 648/4885ALDH1A1 987/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A PTGIR 1/4885HSD17B10 1130/4885ALDH1A1 1643/4885

“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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