SCHEMBL3300525

SCHEMBL3300525

NC1=N[C@@]2(c3cc(-c4cncc(Cl)c4)ccc3F)COCC[C@H]2CS1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.66
CTSD P07339 1/20 0.54
CYP2D6 P10635 1/20 0.53
KCNH2 Q12809 1/20 0.53
BACE2 Q9Y5Z0 3/20 0.47
CTSB P07858 1/20 0.46

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
SCHEMBL3300521 1.00 BACE1 (0.66) BACE1CTSDCYP2D6KCNH2BACE2
SCHEMBL3367016 1.00 BACE1 (0.66) BACE1CTSDCYP2D6KCNH2BACE2
SCHEMBL3364851 0.89 BACE1 (0.67) BACE1CYP2D6KCNH2BACE2
SCHEMBL3302839 0.89 BACE1 (0.67) BACE1CYP2D6KCNH2BACE2
SCHEMBL3302843 0.89 BACE1 (0.67) BACE1CYP2D6KCNH2BACE2
SCHEMBL14716478 0.80 BACE1 (1.00) BACE1CTSDCYP2D6KCNH2BACE2
SCHEMBL967098 0.79 BACE1 (0.62) BACE1CTSDKCNH2BACE2
SCHEMBL6877100 0.79 BACE1 (0.62) BACE1CTSDKCNH2BACE2
SCHEMBL934064 0.79 BACE1 (0.62) BACE1CTSDKCNH2BACE2
SCHEMBL3295793 0.79 BACE1 (0.64) BACE1CTSDCYP2D6KCNH2CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP claimed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US claimed
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP disclosed
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP disclosed
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-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-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
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
WO-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 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 (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 1/4885CTSD 595/4885CYP2D6 1117/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885CTSD 1910/4885CYP2D6 814/4885

“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.