SCHEMBL6164833

SCHEMBL6164833

CC(C)(C)OC(=O)Nc1cc(N2CCCC2)c(Cl)cc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GFER P55789 1/20 0.37
KCNQ2 O43526 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6164404 0.99 MEN1 (0.42) KDM4ERECQLALDH1A1MAPTMEN1
SCHEMBL6166440 0.97 KDM4E (0.39) KDM4ERECQLALDH1A1MAPTMEN1
SCHEMBL21600750 0.87 CYP2D6 (0.48) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6164845 0.86 MAPT (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21600818 0.86 AAK1 (0.39) AAK1
SCHEMBL21600745 0.85 FYN (0.41) LMNAAAK1
SCHEMBL6166893 0.85 TSHR (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12457410 0.85 KDM4E (0.41) KDM4ERECQLALDH1A1MAPTMEN1
SCHEMBL5562842 0.83 MAPT (0.40) KDM4EMAPTLMNASMN1; SMN2NPC1
SCHEMBL3571997 0.82 CA12 (0.41) AAK1

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 KDM4E 929/4885RECQL 469/4885ALDH1A1 316/4885

“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.