SCHEMBL6730233

SCHEMBL6730233

CC(C)C1(CCc2ccccc2)CCCNC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.36
CXCR3 P49682 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
MMP13 P45452 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL6731350 0.74 GRIN1 (0.35) GRIN1GRIN2AALDH1A1OPRD1
SCHEMBL7043301 0.71 GRIN1 (0.41) GRIN1GRIN2AALDH1A1HSD11B1CXCR3
SCHEMBL7448840 0.69 BACE1 (0.35) ALDH1A1LMNACHRM2ADRA2ACYP2D6
SCHEMBL6730464 0.69 GRIN1 (0.43) GRIN1GRIN2AALDH1A1CXCR3GRIN2B
SCHEMBL6730231 0.67 GRIN1 (0.40) GRIN1GRIN2AHSD11B1GRIN2BADRA2A
SCHEMBL6730223 0.67 GRIN1 (0.42) GRIN1GRIN2AHSD11B1CXCR3GRIN2B
SCHEMBL17608847 0.65 LTA4H (0.62) ALDH1A1CXCR3CYP2D6TSHRKMT2A
SCHEMBL6732401 0.63 CYP19A1 (0.32) ALDH1A1LMNATSHRKMT2AOPRD1
SCHEMBL9726828 0.63 KMT2A (0.74) GRIN1GRIN2ACXCR3CYP2D6MAPT
SCHEMBL3268276 0.63 LTA4H (0.54) ALDH1A1CXCR3CYP2D6TSHRKMT2A

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 279/4885ALDH1A1 724/4885

“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.