SCHEMBL1934828

SCHEMBL1934828

C=CCC(COCc1ccccc1)OCC(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
TACR1 P25103 2/20 0.36
SLC1A1 P43005 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL14716764 1.00 HTT (0.41) HTTTDP1CA1CA2CA7
SCHEMBL1934826 1.00 HTT (0.41) HTTTDP1CA1CA2CA7
SCHEMBL24025165 0.92 CA1 (0.44) HTTTDP1CA1CA2CA7
SCHEMBL19725793 0.88 TDP1 (0.40) HTTTDP1CA1CA2CA7
SCHEMBL15366759 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15366764 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15939262 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15366761 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL19868233 0.83 CA1 (0.42) HTTTDP1CA1CA2CA7
SCHEMBL3301617 0.83 HTT (0.37) HTTTDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS LILLY CO ELI (US) 2021-11-18 US disclosed
EP-3497105-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2019-06-19 EP disclosed
WO-2018031334-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-15 WO disclosed
EP-2935282-A1 CARBOCYCLIC- AND HETEROCYCLIC-SUBSTITUTED HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS Pfizer Inc. (US) 2015-10-28 EP disclosed
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP disclosed
WO-2014097038-A1 CARBOCYCLIC- AND HETEROCYCLIC-SUBSTITUTED HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-26 WO 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
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP 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 (3 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-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP HTT 373/4885TDP1 355/4885CA1 1624/4885
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP HTT 267/4885TDP1 1386/4885CA1 866/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 HTT 231/4885TDP1 2865/4885CA1 591/4885

“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.