SCHEMBL6166136

SCHEMBL6166136

COC(=O)c1cccc(-c2nc(COC3CCCCO3)co2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.42
PDE4D Q08499 1/20 0.42
PPARA Q07869 2/20 0.39
VDR P11473 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
PDE4B Q07343 1/20 0.38
FFAR1 O14842 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
CSF1R P07333 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6164513 0.87 FFAR1 (0.35) PPARAFFAR1KCNJ5KCNJ3MEN1
SCHEMBL5564396 0.83 PDE7A (0.40) PDE7APDE4DVDRCHRM2CHRM4
SCHEMBL6163621 0.83 PDE7A (0.46) PDE7APDE4DPPARAPDE4BNPC1
SCHEMBL5564507 0.83 PDE7A (0.41) PDE7APDE4DCHRM2CHRM4CHRM5
SCHEMBL6167181 0.83 PDE7A (0.43) PDE7APDE4DPPARAPDE4BNPC1
SCHEMBL6165227 0.80 PDE4D (0.47) PDE7APDE4DCHRM2CHRM4CHRM5
SCHEMBL6165093 0.79 PDE7A (0.42) PDE7APDE4DCHRM2CHRM4CHRM5
SCHEMBL6167701 0.79 NPC1 (0.44) PDE7APDE4DNPC1RAB9AALDH1A1
SCHEMBL4490282 0.78 PPM1D (0.49) RAB9AALDH1A1SMN1; SMN2L3MBTL1PPM1D
SCHEMBL6167170 0.78 CPT2 (0.43) PDE7APDE4DVDRCHRM2CHRM4

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 PDE7A 1472/4885PDE4D 611/4885PPARA 1779/4885

“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.