SCHEMBL21258997

SCHEMBL21258997

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL21259000 0.94 CKS1B (0.36) ALDH1A1HSD17B10KDM4ESMN1; SMN2TSHR
SCHEMBL21258960 0.93 HTR1A (0.35) ALDH1A1HSD17B10SMN1; SMN2TSHRGPR119
SCHEMBL21258710 0.93 ALDH1A1 (0.33) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL21258717 0.92 HSD17B10 (0.37) ALDH1A1HSD17B10KDM4ESMN1; SMN2TSHR
SCHEMBL21258886 0.92 MEN1 (0.35) CNR1CYP11B2CKS1BSKP1SKP2
SCHEMBL21258722 0.90 CKS1B (0.35) KDM4ECNR1CYP11B2CKS1BSKP1
SCHEMBL21258684 0.90 CNR1 (0.32) CNR1
SCHEMBL21258923 0.89 CYP3A4 (0.36) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL21258981 0.89 ALDH1A1 (0.34) ALDH1A1HSD17B10SMN1; SMN2TSHRGPR119
SCHEMBL21258721 0.89 GRM5 (0.34) CNR1CYP11B2CKS1BSKP1SKP2

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 ALDH1A1 987/4885HSD17B10 648/4885LMNA 2783/4885

“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.

Send feedback