SCHEMBL10154993

SCHEMBL10154993

CCOC(=O)C1CCN(C(=O)c2ccc(C3(C)CCSC(N)=N3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.49
GLA P06280 1/20 0.49
BACE1 P56817 6/20 0.47
POLB P06746 1/20 0.46
PARP10 Q53GL7 1/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL10156628 0.89 BACE1 (0.55) KMT2ATSHRGAAGLABACE1
SCHEMBL10155005 0.83 BACE1 (0.48) BACE1
SCHEMBL14143726 0.82 BACE1 (0.45) BACE1
SCHEMBL10155525 0.81 BACE1 (0.56) BACE1HPGDALDH1A1
SCHEMBL10155024 0.81 BACE1 (0.54) BACE1HPGDALDH1A1
SCHEMBL10157290 0.81 BACE1 (0.54) BACE1HPGDALDH1A1
SCHEMBL10157567 0.80 ALDH1A1 (0.52) KMT2ATSHRGAABACE1TP53
SCHEMBL10155407 0.77 BACE1 (0.47) BACE1
SCHEMBL10155579 0.76 POLB (0.50) KMT2ABACE1POLBHPGD
SCHEMBL10155461 0.75 BACE1 (0.57) KMT2ATSHRBACE1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US disclosed
US-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US 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-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 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-8173642-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2012-05-08 US disclosed
US-8173642-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2012-05-08 US disclosed
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 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-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 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 (6 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-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP KMT2A 870/4885TSHR 1912/4885GAA 1928/4885
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 KMT2A 1106/4885TSHR 1431/4885GAA 2383/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 KMT2A 1369/4885TSHR 1453/4885GAA 2550/4885
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP KMT2A 870/4885TSHR 1912/4885GAA 1928/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP KMT2A 870/4885TSHR 1912/4885GAA 1928/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP KMT2A 870/4885TSHR 1912/4885GAA 1928/4885

“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.