SCHEMBL6164728

SCHEMBL6164728

CC(C)(C)OC(=O)Nc1cc(N2CCCC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.54
ALDH1A1 P00352 7/20 0.54
GPR174 Q9BXC1 6/20 0.53
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPK1 P28482 1/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.48
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6167431 0.87 SMN1; SMN2 (0.46) MAPTALDH1A1SMN1; SMN2CYP2C19MAPK1
SCHEMBL5557531 0.87 SERPINE1 (0.44) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL7146607 0.86 MAPT (0.44) MAPTALDH1A1PKMSMN1; SMN2MAPK1
SCHEMBL6163733 0.86 MAPT (0.52) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6164183 0.85 MAPT (0.53) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6164924 0.84 SERPINE1 (0.44) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6165734 0.84 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6165617 0.84 MAPT (0.49) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6167117 0.84 ALDH1A1 (0.55) MAPTALDH1A1PKMSMN1; SMN2CYP1A2
SCHEMBL6166846 0.83 MAPT (0.59) MAPTALDH1A1GPR174PKMSMN1; SMN2

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
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 MAPT 1155/4885ALDH1A1 316/4885GPR174 978/4885

“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.