SCHEMBL10322641

SCHEMBL10322641

CCC(C)OC(=O)C(C(=O)O)c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA2 P47869 3/20 0.31
CTSA P10619 1/20 0.31
GABRA6 Q16445 1/20 0.31
MMP8 P22894 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL1964920 0.76 MAPT (0.39) MAPTL3MBTL1ALDH1A1GABRA1GABRG2
SCHEMBL10322640 0.76 MMP8 (0.45) MAPTIRAK4L3MBTL1CHRNB2CHRNA4
SCHEMBL290365 0.75 ALDH1A1 (0.43) MAPTALDH1A1CTSAMMP8KDM4E
SCHEMBL538763 0.74 MAPT (0.52) MAPTALDH1A1MMP8LMNAHSD17B10
SCHEMBL1813215 0.74 IRAK4 (0.41) IRAK4CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL5165789 0.73 MAPT (0.43) MAPTALDH1A1CYP1A2MMP8KDM4E
Methane SCHEMBL11382581 0.73 MAPT (0.51) MAPTALDH1A1MMP8LMNAHSD17B10
SCHEMBL10322728 0.73 MAPT (0.38) MAPTL3MBTL1ALDH1A1GABRA1GABRG2
SCHEMBL1294074 0.73 MAPT (0.43) MAPTL3MBTL1MMP8
SCHEMBL12985769 0.72 MAPT (0.39) MAPTALDH1A1HPGDGABRA1GABRG2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683287-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2020-06-16 US disclosed
US-20200048236-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2020-02-13 US disclosed
US-10301296-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2019-05-28 US disclosed
US-10035794-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2018-07-31 US disclosed
US-20170320864-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2017-11-09 US disclosed
US-9550758-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2017-01-24 US disclosed
EP-2663561-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2016-03-16 EP disclosed
US-20150203481-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2015-07-23 US disclosed
US-8865712-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140107118-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2014-04-17 US disclosed
US-8637508-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-01-28 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
EP-2663561-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-07-19 US disclosed
WO-2012095469-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 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 (9 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 MAPT 69/4885IRAK4 3956/4885L3MBTL1 3525/4885
US-10683287-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 MAPT 34/4885IRAK4 4229/4885L3MBTL1 4562/4885
US-20200048236-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 MAPT 26/4885IRAK4 3892/4885L3MBTL1 4520/4885
US-10301296-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 MAPT 34/4885IRAK4 4229/4885L3MBTL1 4562/4885
US-20150203481-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 MAPT 26/4885IRAK4 3892/4885L3MBTL1 4520/4885
US-20170320864-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 MAPT 26/4885IRAK4 3892/4885L3MBTL1 4520/4885
US-10035794-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 MAPT 34/4885IRAK4 4229/4885L3MBTL1 4562/4885
US-20140107118-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 MAPT 26/4885IRAK4 3892/4885L3MBTL1 4520/4885
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 MAPT 26/4885IRAK4 3892/4885L3MBTL1 4520/4885

“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.