SCHEMBL6164214

SCHEMBL6164214

CCOC(=O)c1ccnn1-c1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
ALOX5 P09917 1/20 0.41
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
PRKCA P17252 1/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6168267 0.86 SLC7A5 (0.43) NPBWR1MCHR1ALDH1A1TP53POLB
SCHEMBL6162675 0.86 TP53 (0.49) NPBWR1MCHR1SMN1; SMN2ALDH1A1TP53
SCHEMBL22800293 0.81 HTT (0.46) NPBWR1MCHR1SMN1; SMN2LMNAALDH1A1
SCHEMBL6164229 0.80 SLC7A5 (0.42) NPBWR1MCHR1ALDH1A1TP53POLB
SCHEMBL9681622 0.79 ALDH1A1 (0.57) SMN1; SMN2LMNAALDH1A1TP53KMT2A
SCHEMBL14454774 0.77 NPBWR1 (0.53) NPBWR1MCHR1SMN1; SMN2LMNAALDH1A1
SCHEMBL20274436 0.73 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1TP53POLB
SCHEMBL22800291 0.73 L3MBTL1 (0.41) NPBWR1MCHR1SMN1; SMN2LMNAALDH1A1
SCHEMBL25765253 0.72 KMT2A (0.45) NPBWR1MCHR1SMN1; SMN2LMNAALDH1A1
SCHEMBL19139476 0.72 NPBWR1 (0.42) NPBWR1MCHR1SMN1; SMN2LMNAALDH1A1

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 NPBWR1 462/4885MCHR1 1377/4885SMN1; SMN2 528/4885

“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.