SCHEMBL6730231

SCHEMBL6730231

CC(C)C1(C(C)c2ccccc2)CCCNC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
OPRM1 P35372 5/20 0.36
OPRD1 P41143 5/20 0.36
OPRK1 P41145 5/20 0.36
OPRL1 P41146 5/20 0.36
GRIN2B Q13224 1/20 0.35
HSD11B1 P28845 4/20 0.35
SLC6A9 P48067 1/20 0.33
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
NISCH Q9Y2I1 3/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
FAAH O00519 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
SCHEMBL7043309 0.72 GRIN1 (0.42) GRIN1GRIN2AOPRM1OPRD1OPRK1
SCHEMBL7043301 0.69 GRIN1 (0.41) GRIN1GRIN2AOPRM1OPRD1OPRK1
SCHEMBL11886192 0.68 OTUD7B (0.32)
SCHEMBL11243304 0.68 LMNA (0.37) FAAH
SCHEMBL6730233 0.67 GRIN1 (0.41) GRIN1GRIN2AOPRM1OPRD1OPRK1
SCHEMBL7448836 0.67 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL2308698 0.66 GRIN1 (0.53) GRIN1GRIN2AOPRM1OPRL1GRIN2B
SCHEMBL3708343 0.66 HSD11B1 (0.39) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL2313192 0.65 GRIN1 (0.55) GRIN1GRIN2AOPRM1OPRL1GRIN2B
SCHEMBL9735641 0.65 GRIN1 (0.45) GRIN1GRIN2AOPRM1OPRL1GRIN2B

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
US-6680331-B2 ADMINISTERING DIETHYL LACTAMS SUCH AS 3,3-DIETHYL-2-PYRROLIDINONE FOR INDUCING ANESTHESIA OR CONSCIOUS SEDATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-01-20 US disclosed
US-20030078283-A1 Lactam and thiolactam derivatives as anesthetic and conscious sedation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-04-24 US disclosed
WO-2003007940-A1 LACTAM AND THIOLACTAM DERIVATIVES AS ANESTHETIC AND CONSCIOUS SEDATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-01-30 WO disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 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-20030078283-A1 Lactam and thiolactam derivatives as anesthetic and conscious sedation agents GABRD, GABRE, CCT8 GRIN1 167/4885GRIN2A 279/4885OPRM1 92/4885

“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.