SCHEMBL2485641

SCHEMBL2485641

O=C(O)C(CCCCCl)c1ccc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
CPB2 Q96IY4 4/20 0.33
CPB1 P15086 2/20 0.33
TBXAS1 P24557 2/20 0.32
CTSK P43235 1/20 0.30

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
SCHEMBL23412757 1.00 CES2 (0.40) CES2CES1CPB2CPB1TBXAS1
SCHEMBL23412684 0.88 CES2 (0.40) CES2CES1CTSK
SCHEMBL23412682 0.88 CES2 (0.40) CES2CES1CTSK
SCHEMBL27934340 0.83 CES2 (0.41) CES2CES1
SCHEMBL23443244 0.83 CES2 (0.36) CES2CES1CTSK
SCHEMBL23443634 0.83 CES2 (0.36) CES2CES1CTSK
SCHEMBL25028162 0.83 CES2 (0.36) CES2CES1CTSK
SCHEMBL960617 0.81 CES2 (0.41) CES2CES1CPB2
SCHEMBL30492778 0.80 CNR2 (0.40) CES2CES1TBXAS1
SCHEMBL963394 0.80 CNR2 (0.40) CES2CES1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US claimed
EP-4065581-A1 PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE F. Hoffmann-La Roche AG (CH) 2022-10-05 EP claimed
CN-114787163-A Process for preparing (9S) -2-bromo-9- (2,3, 4-trifluorophenyl) -6,7,8, 9-tetrahydro-5H- [1,2,4] triazolo [1,5-a ] azepine 豪夫迈·罗氏有限公司 2022-07-22 CN claimed
WO-2021105337-A1 PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-03 WO claimed
CN-111315745-B Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-3728262-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US disclosed
US-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US disclosed
EP-4065581-A1 PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE F. Hoffmann-La Roche AG (CH) 2022-10-05 EP disclosed
US-11440915-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-09-13 US disclosed
CN-114787163-A Process for preparing (9S) -2-bromo-9- (2,3, 4-trifluorophenyl) -6,7,8, 9-tetrahydro-5H- [1,2,4] triazolo [1,5-a ] azepine 豪夫迈·罗氏有限公司 2022-07-22 CN disclosed
EP-3535266-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-12-29 EP disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111315745-A Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2020-06-19 CN disclosed
US-20190284191-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-09-19 US disclosed
US-20190284191-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-09-19 US disclosed
EP-3535266-A1 BICYCLIC HETEROARYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2019-09-11 EP disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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 (4 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-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE APP, PSEN1, PSEN2 CES2 1982/4885CES1 1767/4885CPB2 819/4885
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HUWE1, APP, PSEN1 CES2 2899/4885CES1 2722/4885CPB2 988/4885
US-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 CES2 2986/4885CES1 2886/4885CPB2 1185/4885
US-20190284191-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, APP, HTT CES2 2614/4885CES1 2194/4885CPB2 2052/4885

“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.