SCHEMBL6166737

SCHEMBL6166737

CC(C)(C)OC(=O)/C=C/N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
USP2 O75604 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 1/20 0.35
XPO1 O14980 1/20 0.35
PREP P48147 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
EPHX1 P07099 1/20 0.32
ALOX12 P18054 1/20 0.30

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
SCHEMBL4026764 0.79 HPGD (0.39) HPGDUSP2SMN1; SMN2CTSKPREP
SCHEMBL303433 0.78 HPGD (0.41) HPGDUSP2ALDH1A1MAPTNPC1
SCHEMBL6772333 0.77 NFE2L2 (0.52) HPGDUSP2ALDH1A1MAPTNPC1
SCHEMBL6772335 0.77 NFE2L2 (0.52) HPGDUSP2ALDH1A1MAPTNPC1
SCHEMBL4180059 0.75 CTSK (0.41) HPGDUSP2MAPTSMN1; SMN2CTSK
SCHEMBL1144907 0.75 NFE2L2 (0.50) HPGDUSP2ALDH1A1MAPTNPC1
SCHEMBL1144905 0.75 NFE2L2 (0.50) HPGDUSP2ALDH1A1MAPTNPC1
SCHEMBL43004 0.75 HCAR2 (0.45) USP2ALDH1A1LMNASMN1; SMN2XPO1
SCHEMBL43764 0.75 HCAR2 (0.45) USP2ALDH1A1LMNASMN1; SMN2XPO1
SCHEMBL375029 0.75 HCAR2 (0.45) USP2ALDH1A1LMNASMN1; SMN2XPO1

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 3 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
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

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 HPGD 451/4885USP2 3528/4885ALDH1A1 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.