SCHEMBL6731350

SCHEMBL6731350

CCC1(C(C)C)CCCNC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRB3 P28472 1/20 0.30
OPRD1 P41143 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL6732401 0.89 CYP19A1 (0.32) KDM4EALDH1A1CYP3A4GABRB3OPRD1
SCHEMBL7043301 0.76 GRIN1 (0.41) GRIN1GRIN2AKDM4EALDH1A1CYP3A4
SCHEMBL6730233 0.74 GRIN1 (0.41) GRIN1GRIN2AALDH1A1OPRD1
SCHEMBL6730153 0.72 GRIN1 (0.38) GRIN1GRIN2AKDM4E
SCHEMBL26442036 0.72 CRBN (0.43) CYP3A4
SCHEMBL27507479 0.72 CYP19A1 (0.33)
SCHEMBL24754613 0.71 GRIN1 (0.34) GRIN1GRIN2A
SCHEMBL6731661 0.71 TSHR (0.45) GRIN1GRIN2AKDM4E
SCHEMBL6729664 0.71 GRIN1 (0.34) GRIN1GRIN2A
SCHEMBL25134720 0.71 TSHR (0.45) GRIN1GRIN2AKDM4E

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 279/4885KDM4E 600/4885

“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.