SCHEMBL6162738

SCHEMBL6162738

COC(=O)c1cccc(-c2onc(C)c2COC2CCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CREBBP Q92793 2/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL6607287 0.89 SLC6A9 (0.40) SLC6A9MEN1KMT2ACREBBPBRD4
SCHEMBL6164987 0.87 SLC6A9 (0.37) SLC6A9ALDH1A1MEN1KMT2ACREBBP
SCHEMBL6167181 0.82 PDE7A (0.43) SLC6A9PDE4DPDE7AALDH1A1SMN1; SMN2
SCHEMBL6167701 0.82 NPC1 (0.44) PDE4DPDE7AALDH1A1SMN1; SMN2MEN1
SCHEMBL21107455 0.79 SLCO1B1 (0.40) SLC6A9ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5564396 0.79 PDE7A (0.40) PDE4DPDE7AALDH1A1SMN1; SMN2MEN1
SCHEMBL6165093 0.79 PDE7A (0.42) PDE4DPDE7ANR1H4ALDH1A1SMN1; SMN2
SCHEMBL5564507 0.78 PDE7A (0.41) PDE4DPDE7ANR1H4MEN1KMT2A
SCHEMBL4490282 0.78 PPM1D (0.49) ALDH1A1SMN1; SMN2CREBBPRAB9AEP300
SCHEMBL6165731 0.78 NPC1 (0.46) NR1H4ALDH1A1MEN1KMT2ACREBBP

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 SLC6A9 3903/4885PDE4D 611/4885PDE7A 1472/4885

“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.