SCHEMBL9947925

SCHEMBL9947925

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C#N)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.37
LIPG Q9Y5X9 4/20 0.37
CSF1R P07333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR2 Q92731 1/20 0.33
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
SNCA P37840 1/20 0.31
AR P10275 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL22160141 0.88 LPL (0.43) LPLLIPGESR2CA1CA2
SCHEMBL16655447 0.85 FPR2 (0.37) LPLLIPGCSF1RKDM4EUSP2
SCHEMBL30900877 0.85 LPL (0.35) LPLLIPGESR2
SCHEMBL29209756 0.85 LPL (0.35) LPLLIPGESR2
SCHEMBL2656840 0.84 KDM4E (0.40) LPLLIPGCSF1RKDM4EUSP2
SCHEMBL18339421 0.83 LPL (0.40) LPLLIPGESR2
SCHEMBL14764291 0.82 HTR2A (0.33) LPLLIPGCSF1RKDM4EUSP2
SCHEMBL30129305 0.81 LPL (0.41) LPLLIPGCSF1RSNCACA1
SCHEMBL14274294 0.81 LPL (0.41) LPLLIPGCSF1RSNCACA1
SCHEMBL21772422 0.81 LPL (0.36) LPLLIPGESR2SNCACA1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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 (4 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-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP LPL 1307/4885LIPG 578/4885CSF1R 2005/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP LPL 1307/4885LIPG 578/4885CSF1R 2005/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP LPL 1307/4885LIPG 578/4885CSF1R 2005/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP LPL 1307/4885LIPG 578/4885CSF1R 2005/4885

“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.