SCHEMBL6737898

SCHEMBL6737898

CN1CCCC(C)(Cc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ELANE P08246 4/20 0.44
OPRM1 P35372 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
OPRL1 P41146 1/20 0.40
BACE1 P56817 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6727242 0.90 ELANE (0.46) GRIN1GRIN2AMEN1KMT2AELANE
SCHEMBL30977287 0.83 GRIN1 (0.49) GRIN1GRIN2AMEN1KMT2AELANE
SCHEMBL6732110 0.82 KMT2A (0.66) MEN1KMT2AELANE
SCHEMBL6727270 0.79 ELANE (0.48) GRIN1GRIN2AMEN1KMT2AELANE
SCHEMBL20714378 0.77 GRIN1 (0.44) GRIN1GRIN2AMEN1KMT2AELANE
SCHEMBL6730533 0.75 KMT2A (0.56) MEN1KMT2AELANEOPRM1OPRL1
SCHEMBL25248424 0.74 ELANE (0.43) GRIN1GRIN2AMEN1KMT2AELANE
SCHEMBL3882925 0.74 HSD11B1 (0.50) ELANE
SCHEMBL29269106 0.73 MAOA (0.41) GRIN1GRIN2AELANEOPRM1OPRL1
SCHEMBL20714379 0.73 GRIN1 (0.43) GRIN1GRIN2AMEN1KMT2AELANE

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 279/4885MEN1 3305/4885

“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.