SCHEMBL8209635

SCHEMBL8209635

NC1CN(CC(F)(F)F)c2ccccc2N(CCOCc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 5/20 0.35
PKM P14618 2/20 0.35
LTA4H P09960 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TEAD3 Q99594 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
AOC3 Q16853 1/20 0.32
SLC6A3 Q01959 1/20 0.31
AGTR2 P50052 1/20 0.31
GBA1 P04062 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31

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
Hydrochloric Acid SCHEMBL4993551 0.99 GAA (0.35) GAAMEN1KMT2ASCN9APKM
SCHEMBL8207412 0.92 SCN9A (0.38) GAAMEN1KMT2ASCN9APKM
SCHEMBL8206826 0.92 SCN9A (0.38) GAAMEN1KMT2ASCN9APKM
Hydrochloric Acid SCHEMBL4994773 0.91 SCN9A (0.38) GAAMEN1KMT2ASCN9APKM
Hydrochloric Acid SCHEMBL4994783 0.91 SCN9A (0.38) GAAMEN1KMT2ASCN9APKM
SCHEMBL4988616 0.80 GAA (0.39) GAAMEN1KMT2ALIPGDPP4
SCHEMBL14093724 0.80 GAA (0.39) GAAMEN1KMT2ALIPGDPP4
Hydrochloric Acid SCHEMBL4988622 0.79 GAA (0.38) GAAMEN1KMT2ALIPGDPP4
Hydrochloric Acid SCHEMBL4988609 0.79 GAA (0.38) GAAMEN1KMT2ALIPGDPP4
SCHEMBL4070879 0.79 GAA (0.40) GAAMEN1KMT2ALTA4HTEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414049-B2 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-7414049-B2 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008034735-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 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 (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-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES BACE1, BACE2, PSEN1 GAA 271/4885MEN1 2937/4885KMT2A 2357/4885

“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.