SCHEMBL16664726

SCHEMBL16664726

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC2(CCCc3sc(Br)cc32)C(=O)N1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN8A Q9UQD0 1/20 0.31
BACE1 P56817 5/20 0.31
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CES1 P23141 1/20 0.31
AGTR1 P30556 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.30
NPFFR2 Q9Y5X5 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
AKT1 P31749 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
SCHEMBL16664725 0.84 BACE1 (0.35) ACHEBACE1
SCHEMBL16664021 0.80 MAPT (0.36) ACHEBACE1SCN9AALDH1A1NPSR1
SCHEMBL15606156 0.79 BACE1 (0.43) BACE1
SCHEMBL15549057 0.77 BACE1 (0.35) ACHEBACE1
SCHEMBL15606153 0.76 BACE1 (0.38) ACHEBACE1SCN9AALDH1A1AGTR1
SCHEMBL16664735 0.68
SCHEMBL16664754 0.67 BACE1 (0.31) BACE1LTB4R2
SCHEMBL15606185 0.64 BACE1 (0.44) BACE1
SCHEMBL29227010 0.59 BRD4 (0.48) HTR2CSLC6A4SCN9AALDH1A1
SCHEMBL4748073 0.58 KMT2A (0.42) ACHEALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855486-B1 SPIRO TETRAHYDRO-BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARES TRADING SA (CH) 2016-04-06 EP disclosed
US-9233982-B2 Spiro tetrahydro—benzothiophen derivatives useful for the treatment neurodegenerative diseases ARES TRADING S.A. (CH) 2016-01-12 US disclosed
US-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES ARES TRADING S.A. (CH) 2015-04-23 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 (1 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-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES PSEN1, PSEN2, BACE2 ACHE 542/4885HTR2C 2610/4885SLC6A4 823/4885

“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.