SCHEMBL9947622

SCHEMBL9947622

CC(C)Oc1cnc(C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
ACACB O00763 5/20 0.41
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR2 Q8TDS4 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GCK P35557 1/20 0.38
MCL1 Q07820 1/20 0.38
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
KMO O15229 1/20 0.37
ACACA Q13085 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36

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
SCHEMBL30482976 0.87 SIRT6 (0.66) SIRT6ACACBALDH1A1GCKACACA
SCHEMBL2645887 0.86 SIRT6 (0.50) SIRT6KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL22582951 0.82 MAPK1 (0.46) SIRT6ACACBKDM4EMAPK1L3MBTL1
SCHEMBL29435688 0.82 MAPK1 (0.46) SIRT6ACACBKDM4EMAPK1L3MBTL1
SCHEMBL16011660 0.82 SIRT6 (0.42) SIRT6KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL17495670 0.82 SIRT6 (0.42) SIRT6ACACBKDM4EMAPK1L3MBTL1
SCHEMBL16011751 0.82 SIRT6 (0.42) SIRT6KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL18401863 0.82 SIRT6 (0.42) SIRT6ACACBKDM4EMAPK1L3MBTL1
SCHEMBL16011661 0.82 SIRT6 (0.42) SIRT6KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL992595 0.81 SIRT6 (0.44) SIRT6KDM4EMAPK1L3MBTL1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
CN-102471293-B Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG (CH) 2014-10-01 CN claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
CN-103596569-A BACE-2 inhibitors for the treatment of metabolic disorders NOVARTIS AG 2014-02-19 CN claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
CN-102666507-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-09-12 CN claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
EP-2964644-B1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2018-12-26 EP disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-9611261-B2 Perfluorinated cyclopropyl fused 1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2017-04-04 US disclosed
US-9611261-B2 Perfluorinated cyclopropyl fused 1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2017-04-04 US disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-07-05 US disclosed
US-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP SIRT6 1476/4885ACACB 59/4885KMT2A 2117/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C SIRT6 1402/4885ACACB 2895/4885KMT2A 1676/4885
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP SIRT6 2158/4885ACACB 1314/4885KMT2A 3297/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C SIRT6 1402/4885ACACB 2895/4885KMT2A 1676/4885

“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.