SCHEMBL21617359

SCHEMBL21617359

NNC(=O)COC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
ATF4 P18848 4/20 0.38
CETP P11597 1/20 0.36
SPHK1 Q9NYA1 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KAT2B Q92831 2/20 0.33
BAZ2B Q9UIF8 1/20 0.33
LMNA P02545 1/20 0.33
AOC2 O75106 1/20 0.32
ELANE P08246 1/20 0.32
AOC3 Q16853 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 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
SCHEMBL20345730 0.89 ATF4 (0.47) PRMT5WDR77ATF4CETPKDM4E
SCHEMBL28529903 0.89 ATF4 (0.47) PRMT5WDR77ATF4CETPKDM4E
SCHEMBL21378728 0.82 ATF4 (0.41) PRMT5WDR77ATF4CETPKDM4E
SCHEMBL601403 0.82 ATF4 (0.41) PRMT5WDR77ATF4CETPKDM4E
SCHEMBL24158831 0.81 KAT2B (0.42) PRMT5WDR77ATF4CETPALDH1A1
SCHEMBL20345707 0.79 PRMT5 (0.40) PRMT5WDR77ATF4CETPKDM4E
SCHEMBL24158596 0.79 KDM4E (0.36) PRMT5WDR77ATF4CETPSPHK1
SCHEMBL8893566 0.76 PRMT5 (0.34) PRMT5WDR77ATF4CETPSPHK1
SCHEMBL360662 0.76 ITGB3 (0.41) PRMT5WDR77ATF4CETPSPHK1
SCHEMBL23386552 0.75 PIK3CD (0.37) PRMT5WDR77ATF4CETPSPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999732-B2 P2X3 receptor antagonists RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-04 US disclosed
CN-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 CN disclosed
CN-113149961-B Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2021-08-12 US disclosed
CN-113149961-A Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-23 CN disclosed
EP-3820566-A1 P2X3 RECEPTOR ANTAGONISTS Recordati Industria Chimica E Farmaceutica SPA (IT) 2021-05-19 EP disclosed
CN-112584898-A P2X3Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2021-03-30 CN disclosed
CN-109071492-B Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-02-26 CN disclosed
WO-2020011921-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2020-01-16 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-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS P2RX3, P2RX5, P2RX2 PRMT5 3484/4885WDR77 3753/4885ATF4 2190/4885
US-11999732-B2 P2X3 receptor antagonists P2RX3, P2RX5, P2RX2 PRMT5 3484/4885WDR77 3753/4885ATF4 2190/4885

“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.