SCHEMBL3609150

SCHEMBL3609150

C[C@H]1[C@H](O)CCN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.60
MAPT P10636 1/20 0.55
ACHE P22303 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
FUCA1 P04066 2/20 0.46
ALDH1A1 P00352 1/20 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
SCHEMBL18479257 1.00 GBA1 (0.60) GBA1MAPTACHESIGMAR1FUCA1
SCHEMBL17062136 0.90 MAPT (0.53) GBA1MAPTACHEALDH1A1
SCHEMBL15719020 0.90 GBA1 (0.57) GBA1MAPTACHESIGMAR1FUCA1
SCHEMBL17062432 0.90 MAPT (0.53) GBA1MAPTACHEALDH1A1
SCHEMBL25382408 0.83 GBA1 (0.47) GBA1MAPTACHEFUCA1ALDH1A1
SCHEMBL31290870 0.83 GBA1 (0.47) GBA1MAPTACHEFUCA1ALDH1A1
SCHEMBL31185707 0.83 GBA1 (0.47) GBA1MAPTACHEFUCA1ALDH1A1
SCHEMBL14417820 0.82 ACHE (0.53) GBA1MAPTACHESIGMAR1ALDH1A1
SCHEMBL2430189 0.82 GBA1 (0.64) GBA1MAPTSIGMAR1FUCA1ALDH1A1
SCHEMBL13995018 0.82 ACHE (0.53) GBA1MAPTACHESIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP GBA1 54/4885MAPT 103/4885ACHE 5/4885
US-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 GBA1 4834/4885MAPT 4707/4885ACHE 3955/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP GBA1 54/4885MAPT 103/4885ACHE 5/4885

“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.