SCHEMBL9913133

SCHEMBL9913133

C[C@H]1COC[C@]2(c3cc([N+](=O)[O-])ccc3F)N=C(NC(=O)OC(C)(C)C)SC[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
BACE1 P56817 12/20 0.35
BACE2 Q9Y5Z0 10/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
GNRHR P30968 1/20 0.33

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
SCHEMBL9913132 1.00 DRD2 (0.35) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL7925298 1.00 DRD2 (0.35) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL7922358 0.94 DRD2 (0.35) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL9913123 0.94 DRD2 (0.35) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL9913143 0.92 BACE1 (0.35) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL7916603 0.92 BACE1 (0.35) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL13009269 0.90 BACE1 (0.44) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL8030093 0.90 BACE1 (0.44) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL2632338 0.90 BACE1 (0.45) DRD2BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL10288946 0.90 BACE1 (0.45) DRD2BACE1BACE2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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 (2 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP DRD2 384/4885BACE1 1/4885BACE2 2/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 DRD2 598/4885BACE1 1/4885BACE2 3/4885

“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.