SCHEMBL6165083

SCHEMBL6165083

CC(C)(C)OC(=O)Nc1cc(N2CCCCC2)c(C#N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
MMP1 P03956 1/20 0.38
CSF1R P07333 9/20 0.38
BRPF1 P55201 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
SCHEMBL6165021 0.99 NPSR1 (0.40) NPSR1TP53HPGDHSD17B10SMN1; SMN2
SCHEMBL6437824 0.89 HDAC3 (0.34) NPSR1TP53HPGDHSD17B10SMN1; SMN2
SCHEMBL6433445 0.89 HPGD (0.43) NPSR1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL6167117 0.84 ALDH1A1 (0.55) NPSR1TP53HPGDHSD17B10SMN1; SMN2
SCHEMBL6164404 0.82 MEN1 (0.42) NPSR1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL6165734 0.82 ALDH1A1 (0.53) NPSR1TP53HPGDHSD17B10SMN1; SMN2
SCHEMBL6164845 0.82 MAPT (0.40) NPSR1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL6164833 0.81 KDM4E (0.41) NPSR1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL6166893 0.81 TSHR (0.42) NPSR1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL24121371 0.79 TRPA1 (0.37)

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 NPSR1 359/4885TP53 4859/4885HPGD 451/4885

“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.