SCHEMBL10322380

SCHEMBL10322380

NC(=O)c1cc(C2(CF)COCC(=S)N2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.38
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 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
SCHEMBL10321881 0.88 IRAK4 (0.39) OPRM1BACE1BACE2
SCHEMBL10322382 0.82 BACE1 (0.32) BACE1BACE2
SCHEMBL10322835 0.77 BACE1 (0.38) BACE1BACE2
SCHEMBL27936914 0.75 OPRM1 (0.38) OPRM1
SCHEMBL10320971 0.74 BACE1 (0.63) BACE1BACE2
SCHEMBL27950694 0.70 OPRM1 (0.45) OPRM1
SCHEMBL10323164 0.67
SCHEMBL10322836 0.65 BACE1 (0.33) BACE1BACE2
SCHEMBL10322804 0.64 BACE1 (0.37) BACE1BACE2
SCHEMBL22887948 0.62 OPRM1 (0.48) OPRM1

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-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2012095469-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL 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 OPRM1 4228/4885BACE1 2/4885BACE2 1/4885
US-10683287-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 OPRM1 1729/4885BACE1 2/4885BACE2 1/4885
US-20200048236-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 OPRM1 1750/4885BACE1 2/4885BACE2 1/4885
US-10301296-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 OPRM1 1729/4885BACE1 2/4885BACE2 1/4885
US-20150203481-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 OPRM1 1750/4885BACE1 2/4885BACE2 1/4885
US-20170320864-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 OPRM1 1750/4885BACE1 2/4885BACE2 1/4885
US-10035794-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 OPRM1 1729/4885BACE1 2/4885BACE2 1/4885
US-20140107118-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 OPRM1 1750/4885BACE1 2/4885BACE2 1/4885
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 OPRM1 1750/4885BACE1 2/4885BACE2 1/4885

“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.