Sugi Predict

Sugi Predict / Compounds / SCHEMBL9947994

SCHEMBL9947994

SCHEMBL9947994

CC(C)COc1ccc2c(c1)C(=O)[C@]1(CC[C@H](O)CC1)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.50
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ PDK2 Q15119 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ APP P05067 1/20 0.38
▸ ACACB O00763 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ XDH P47989 1/20 0.33

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
SCHEMBL9947992 1.00 BACE1 (0.50) BACE1BRD4CREBBPPDK2ABL1
SCHEMBL9948077 0.87 BACE1 (0.52) BACE1BRD4CREBBPAPP
SCHEMBL9948076 0.87 BACE1 (0.52) BACE1BRD4CREBBPAPP
SCHEMBL16621511 0.86 BACE1 (0.50) BACE1BRD4CREBBPPDK2ABL1
SCHEMBL9947869 0.85 BRD4 (0.40) BACE1BRD4CREBBPPDK2ABL1
SCHEMBL7893883 0.82 OPRM1 (0.41) BACE1BRD4
SCHEMBL12746567 0.82 METAP1 (0.44) BACE1ALDH1A1
SCHEMBL9948566 0.81 MAOA (0.49) BACE1BRD4CREBBPPDK2
SCHEMBL9948622 0.81 BACE1 (0.38) BACE1BRD4PDK2APP
SCHEMBL9948565 0.81 MAOA (0.49) BACE1BRD4CREBBPPDK2

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 42 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-20130345246-A1 2H-Imidazol-4-Amine Compounds and Their Use as Bace Inhibitors ASTRAZENECA AB (SE) 2013-12-26 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 BACE1 1/4885BRD4 1326/4885CREBBP 1196/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP BACE1 1/4885BRD4 1326/4885CREBBP 1196/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885BRD4 1326/4885CREBBP 1196/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BRD4 1326/4885CREBBP 1196/4885
US-20130345246-A1 2H-Imidazol-4-Amine Compounds and Their Use as Bace Inhibitors BACE1, BACE2, PSEN2 BACE1 1/4885BRD4 62/4885CREBBP 1561/4885

“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.