SCHEMBL9947869

SCHEMBL9947869

CC(C)COc1ccc2c(c1)C(=O)C1(CCC(=O)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
BACE1 P56817 7/20 0.37
PDK2 Q15119 1/20 0.37
MEN1 O00255 1/20 0.36
MC4R P32245 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35
TRIM24 O15164 2/20 0.34

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
SCHEMBL9947994 0.85 BACE1 (0.50) BRD4CREBBPALDH1A1LMNAKDM4E
SCHEMBL9947992 0.85 BACE1 (0.50) BRD4CREBBPALDH1A1LMNAKDM4E
SCHEMBL9948076 0.84 BACE1 (0.52) BRD4CREBBPBACE1APP
SCHEMBL9948077 0.84 BACE1 (0.52) BRD4CREBBPBACE1APP
SCHEMBL11805867 0.81 METAP1 (0.47) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL9948404 0.80 HRH3 (0.38) BRD4BACE1APPMAOAMAOB
SCHEMBL12747654 0.80 MAOA (0.46) BACE1MEN1KMT2AHPGDMAOA
SCHEMBL9959471 0.79 MEN1 (0.38) BRD4CREBBPALDH1A1LMNAKDM4E
SCHEMBL12747715 0.79 MAOB (0.55) CREBBPALDH1A1HPGDSMN1; SMN2MAOA
SCHEMBL16622126 0.79 BACE1 (0.39) BACE1PDK2APPACACBMAOA

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 43 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-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

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 BRD4 1326/4885CREBBP 1196/4885ALDH1A1 2834/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP BRD4 1326/4885CREBBP 1196/4885ALDH1A1 2834/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BRD4 1326/4885CREBBP 1196/4885ALDH1A1 2834/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BRD4 1326/4885CREBBP 1196/4885ALDH1A1 2834/4885

“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.