SCHEMBL9913143

SCHEMBL9913143

CO[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 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.35
BACE2 Q9Y5Z0 11/20 0.35
DRD2 P14416 1/20 0.34
GNRHR P30968 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7916603 1.00 BACE1 (0.35) BACE1BACE2DRD2GNRHRHTT
SCHEMBL9913132 0.92 DRD2 (0.35) BACE1BACE2DRD2GNRHRHTT
SCHEMBL9913123 0.92 DRD2 (0.35) BACE1BACE2DRD2GNRHRHTT
SCHEMBL7925298 0.92 DRD2 (0.35) BACE1BACE2DRD2GNRHRHTT
SCHEMBL9913133 0.92 DRD2 (0.35) BACE1BACE2DRD2GNRHRHTT
SCHEMBL7922358 0.92 DRD2 (0.35) BACE1BACE2DRD2GNRHRHTT
SCHEMBL2619900 0.90 DRD2 (0.36) BACE1BACE2DRD2GNRHRHTT
SCHEMBL2619897 0.90 DRD2 (0.36) BACE1BACE2DRD2GNRHRHTT
SCHEMBL13009269 0.88 BACE1 (0.44) BACE1BACE2DRD2GNRHRHTT
SCHEMBL8030093 0.88 BACE1 (0.44) BACE1BACE2DRD2GNRHRHTT

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 BACE1 1/4885BACE2 2/4885DRD2 384/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885DRD2 598/4885

“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.