SCHEMBL6730153

SCHEMBL6730153

CCC1(CC)CCCNC1=O

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD11B1 P28845 4/20 0.31
CYP19A1 P11511 3/20 0.31
OR51E2 Q9H255 1/20 0.31
HTT P42858 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
SCHEMBL1605832 0.86 AR (0.36) TSHRLMNANPSR1MEN1CYP1A2
SCHEMBL14378012 0.84 MMP9 (0.33) GRIN1GRIN2ATSHRNPSR1
SCHEMBL7046578 0.83 GRIN1 (0.36) GRIN1GRIN2AHSD11B1CYP19A1
SCHEMBL6730223 0.80 GRIN1 (0.42) GRIN1GRIN2ATSHRLMNANPSR1
SCHEMBL25134720 0.77 TSHR (0.45) GRIN1GRIN2ATSHRLMNANPSR1
SCHEMBL6731661 0.77 TSHR (0.45) GRIN1GRIN2ATSHRLMNANPSR1
SCHEMBL2077753 0.77 GRIN1 (0.37) GRIN1GRIN2ATSHRLMNANPSR1
SCHEMBL6124709 0.75 CYP19A1 (0.35) TSHRLMNANPSR1MEN1CYP1A2
SCHEMBL26618967 0.75 AR (0.36) TSHRLMNANPSR1MEN1CYP1A2
SCHEMBL11201553 0.75 GRIN1 (0.36) GRIN1GRIN2ATSHRLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US claimed
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
WO-2000062775-A1 COMPOSITIONS AND METHODS FOR INCREASING THE BIOAVAILABILITY OF LACTONE RING CONTAINING DRUGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-10-26 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 279/4885TSHR 2927/4885

“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.