SCHEMBL4995341

SCHEMBL4995341

N[C@H]1CN(C(=O)OCC(F)(F)F)c2cc(F)c(F)cc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
ADORA2B P29275 1/20 0.30
IDH1 O75874 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL8207401 1.00 HTR2C (0.36) HTR2CNR1H2NR1H3FAAHMGLL
Hydrochloric Acid SCHEMBL4995346 0.99 HTR2C (0.36) HTR2CNR1H2NR1H3FAAHMGLL
Hydrochloric Acid SCHEMBL4995321 0.99 HTR2C (0.36) HTR2CNR1H2NR1H3FAAHMGLL
SCHEMBL4247929 0.83 GAA (0.44)
Hydrochloric Acid SCHEMBL4247932 0.82 GAA (0.43)
Hydrochloric Acid SCHEMBL4247924 0.82 GAA (0.43)
SCHEMBL4993633 0.79 GAA (0.36) HTR2CNR1H2NR1H3
SCHEMBL4993646 0.79 GAA (0.36) HTR2CNR1H2NR1H3
SCHEMBL4992925 0.78 NR1H2 (0.32) NR1H2NR1H3FAAHMGLL
SCHEMBL8209097 0.78 NR1H2 (0.32) NR1H2NR1H3FAAHMGLL

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 7 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-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
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 HTR2C 523/4885NR1H2 242/4885NR1H3 327/4885

“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.