SCHEMBL4077287

SCHEMBL4077287

C[C@@]1(c2cccc(Br)c2)CCSC(N)=N1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.68
KCNH2 Q12809 1/20 0.62
APP P05067 1/20 0.59
CTSD P07339 1/20 0.52

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
SCHEMBL3176734 1.00 BACE1 (0.68) BACE1KCNH2APPCTSD
Hydrochloric Acid SCHEMBL17004551 0.99 BACE1 (0.67) BACE1KCNH2APPCTSD
Hydrochloric Acid SCHEMBL17004548 0.99 BACE1 (0.67) BACE1KCNH2APPCTSD
SCHEMBL4078748 0.85 BACE1 (0.72) BACE1KCNH2APP
SCHEMBL13306310 0.85 BACE1 (0.72) BACE1KCNH2APP
SCHEMBL10155150 0.83 BACE1 (0.68) BACE1KCNH2APP
SCHEMBL13307628 0.82 BACE1 (1.00) BACE1KCNH2APP
SCHEMBL10154712 0.82 BACE1 (1.00) BACE1KCNH2APP
SCHEMBL13306647 0.82 BACE1 (1.00) BACE1KCNH2APP
SCHEMBL10155072 0.81 BACE1 (0.74) BACE1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-8653067-B2 Pharmaceutical composition for treating Alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-02-18 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 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-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 14/4885KCNH2 2123/4885APP 7/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 17/4885KCNH2 2155/4885APP 7/4885
US-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885KCNH2 3033/4885APP 3/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 5/4885KCNH2 1134/4885APP 1/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885KCNH2 1063/4885APP 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.