SCHEMBL991765

SCHEMBL991765

CCOC(=O)c1cnc(OCC)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
GABRA1 P14867 7/20 0.46
GABRG2 P18507 7/20 0.46
GABRB3 P28472 7/20 0.46
GABRA5 P31644 7/20 0.46
GABRA3 P34903 7/20 0.46
GABRA2 P47869 7/20 0.46
GABRA4 P48169 7/20 0.46
GABRA6 Q16445 7/20 0.46
GABRP O00591 6/20 0.46
GABRD O14764 6/20 0.46
GABRB1 P18505 6/20 0.46
GABRB2 P47870 6/20 0.46
GABRE P78334 6/20 0.46
GABRG1 Q8N1C3 6/20 0.46
GABRG3 Q99928 6/20 0.46
GABRQ Q9UN88 6/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL1019601 0.89 CYP1A2 (0.59) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL23538019 0.88 POLB (0.45) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL27635499 0.88 SIRT6 (0.59) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL10329867 0.86 MAPK1 (0.47) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL1644521 0.81 POLB (0.70) POLBCYP1A2LMNAL3MBTL1ALDH1A1
SCHEMBL991588 0.81 MAPT (0.56) CYP1A2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL16935098 0.81 MAPT (0.47) POLBCYP1A2LMNAMAPTALDH1A1
SCHEMBL1644378 0.81 CYP1A2 (0.52) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL18399949 0.81 MAPT (0.41) POLBGABRA1GABRG2GABRB3GABRA5
SCHEMBL15687895 0.81 ALDH1A1 (0.49) POLBCYP1A2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360779-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 US disclosed
US-20170360781-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 US disclosed
US-20170360780-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 US disclosed
EP-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 EP disclosed
EP-3231424-A1 PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE COMPONENT Astellas Pharma Inc. (JP) 2017-10-18 EP disclosed
EP-3231426-A1 PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETROCYCLIC AMIDE COMPOUNDS AS ACTIVE INGREDIENT Astellas Pharma Inc. (JP) 2017-10-18 EP disclosed
EP-3231425-A1 PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE COMPONENT Astellas Pharma Inc. (JP) 2017-10-18 EP disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
EP-2456774-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP disclosed
WO-2011044181-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO 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-20170360779-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ACAD9, NDUFAF1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 POLB 720/4885CYP1A2 1430/4885GABRA1 1924/4885
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 POLB 2321/4885CYP1A2 613/4885GABRA1 2009/4885
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP POLB 663/4885CYP1A2 243/4885GABRA1 2446/4885
US-20170360780-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ACAD9, UQCRC1, UQCRC2 POLB 820/4885CYP1A2 1060/4885GABRA1 2517/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP POLB 695/4885CYP1A2 305/4885GABRA1 2387/4885
US-20170360781-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT AK2, PRKAA1, ACAD9 POLB 948/4885CYP1A2 1019/4885GABRA1 1907/4885

“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.