SCHEMBL6734587

SCHEMBL6734587

CCC1(Cc2ccccc2)CCN(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.50
SIGMAR1 Q99720 9/20 0.44
OPRM1 P35372 8/20 0.44
KCNH2 Q12809 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
OPRL1 P41146 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
HTR7 P34969 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6727270 0.91 ELANE (0.48) ELANESIGMAR1OPRM1KCNH2NPSR1
SCHEMBL30977287 0.83 GRIN1 (0.49) ELANESIGMAR1OPRM1KCNH2NPSR1
SCHEMBL6733707 0.82 KMT2A (0.54) ELANESIGMAR1OPRM1KCNH2NPSR1
SCHEMBL6732393 0.79 CHRM2 (0.35) ELANEGRIN1GRIN2ALMNA
SCHEMBL6727242 0.78 ELANE (0.46) ELANESIGMAR1OPRM1KCNH2NPSR1
SCHEMBL6733910 0.77 KMT2A (0.62) ELANEOPRM1NPSR1OPRL1L3MBTL1
SCHEMBL20714372 0.73 ELANE (0.41) ELANESIGMAR1OPRM1KCNH2OPRL1
SCHEMBL6737898 0.72 GRIN1 (0.48) ELANESIGMAR1OPRM1KCNH2OPRL1
SCHEMBL20714384 0.71 ELANE (0.39) ELANESIGMAR1OPRM1KCNH2OPRL1
SCHEMBL17438694 0.71 OPRM1 (0.70) ELANESIGMAR1OPRM1KCNH2OPRL1

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 ELANE 758/4885SIGMAR1 139/4885OPRM1 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.