SCHEMBL4400477

SCHEMBL4400477

CC(C)(C)OC(=O)c1nn(C(C)(C)C)c2nc(F)ccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
DHFR P00374 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL12168143 0.88 ALDH1A1 (0.34) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL4397278 0.83 HCAR3 (0.32) KDM4EKMT2A
SCHEMBL12168174 0.77 PPARG (0.40) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL2883241 0.75 MEN1 (0.40) CNR2ALDH1A1LMNAKDM4EGLA
SCHEMBL12188146 0.74 KDM4E (0.35) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL30526295 0.70 ALDH1A1 (0.45) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL492450 0.70 ALDH1A1 (0.45) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL14857925 0.70 ALDH1A1 (0.35) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL3146157 0.69 SMPD3 (0.35) SCN9ABRD4
SCHEMBL15059772 0.68 ELANE (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (4 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-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 CNR1 1360/4885CNR2 1115/4885GABRA1 746/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A CNR1 415/4885CNR2 336/4885GABRA1 197/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP CNR1 1926/4885CNR2 2165/4885GABRA1 690/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP CNR1 3948/4885CNR2 3051/4885GABRA1 3452/4885

“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.