SCHEMBL10155676

SCHEMBL10155676

CC1(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)CCSC(N)=N1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.54
TSHR P16473 5/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL10156604 0.89 BACE1 (0.54) BACE1TSHRTP53ALDH1A1
SCHEMBL10155525 0.84 BACE1 (0.56) BACE1ALDH1A1
SCHEMBL10155024 0.83 BACE1 (0.54) BACE1ALDH1A1
SCHEMBL10157290 0.83 BACE1 (0.54) BACE1ALDH1A1CA12CA1CA2
SCHEMBL10155461 0.82 BACE1 (0.57) BACE1TSHRALDH1A1LMNACA12
SCHEMBL10155033 0.81 L3MBTL1 (0.52) BACE1TSHRALDH1A1
SCHEMBL10155579 0.81 POLB (0.50) BACE1
SCHEMBL10156279 0.79 BACE1 (0.51) BACE1TSHRALDH1A1GAANPSR1
SCHEMBL10156336 0.79 BACE1 (0.51) BACE1TSHRALDH1A1GAA
SCHEMBL10155179 0.79 BACE1 (0.52) BACE1

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 28 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 BACE1 1/4885TSHR 1912/4885TP53 3101/4885
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 14/4885TSHR 1431/4885TP53 2879/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 17/4885TSHR 1453/4885TP53 2964/4885
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885TSHR 1912/4885TP53 3101/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885TSHR 1912/4885TP53 3101/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885TSHR 1912/4885TP53 3101/4885

“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.