SCHEMBL9948566

SCHEMBL9948566

O=C1c2cc(OCC3CCC3)ccc2C[C@]12CC[C@@H](O)CC2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
PDK2 Q15119 4/20 0.46
PARP10 Q53GL7 9/20 0.44
PARP15 Q460N3 8/20 0.44
PARP2 Q9UGN5 1/20 0.41
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
BACE1 P56817 2/20 0.38

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
SCHEMBL20451538 1.00 MAOA (0.49) MAOAMAOBPDK2PARP10PARP15
SCHEMBL9948565 1.00 MAOA (0.49) MAOAMAOBPDK2PARP10PARP15
SCHEMBL9948059 0.88 MAOA (0.49) MAOAMAOBPDK2PARP10PARP15
SCHEMBL16622125 0.87 BACE1 (0.40) MAOAMAOBPDK2PARP10PARP15
SCHEMBL9948474 0.86 BACE1 (0.52) MAOAMAOBBACE1
SCHEMBL9948476 0.86 BACE1 (0.52) MAOAMAOBBACE1
SCHEMBL18543792 0.81 MAOA (0.45) MAOAMAOBPDK2PARP10PARP15
SCHEMBL9947994 0.81 BACE1 (0.50) PDK2BRD4CREBBPBACE1
SCHEMBL9948622 0.81 BACE1 (0.38) MAOAMAOBPDK2BRD4BACE1
SCHEMBL9947992 0.81 BACE1 (0.50) PDK2BRD4CREBBPBACE1

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 MAOA 136/4885MAOB 75/4885PDK2 2295/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP MAOA 136/4885MAOB 75/4885PDK2 2295/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP MAOA 136/4885MAOB 75/4885PDK2 2295/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP MAOA 136/4885MAOB 75/4885PDK2 2295/4885

“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.