SCHEMBL6942322

SCHEMBL6942322

C=CCC1(Cc2ccccc2)CCCNC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CXCR3 P49682 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
GRIN2B Q13224 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL14378048 1.00 LMNA (0.40) LMNAHTTNPSR1L3MBTL1GRIN1
SCHEMBL9800283 0.83 GRIN1 (0.33) GRIN1GRIN2APOLBHPGDMMP9
SCHEMBL6730223 0.82 GRIN1 (0.42) LMNAHTTNPSR1L3MBTL1GRIN1
SCHEMBL14378012 0.77 MMP9 (0.33) NPSR1GRIN1GRIN2AMMP9
SCHEMBL14498563 0.77 HTT (0.42) LMNAHTTNPSR1L3MBTL1GRIN1
SCHEMBL22127494 0.76 L3MBTL1 (0.35) LMNAHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL22127493 0.76 L3MBTL1 (0.35) LMNAHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL14554853 0.74 PIM1 (0.34) POLB
SCHEMBL8194936 0.74 MEN1 (0.45) LMNANPSR1L3MBTL1PDE4APDE4B
SCHEMBL27488276 0.73 MMP9 (0.54) MMP2MMP9MMP8MMP13

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 4 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
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

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 LMNA 3436/4885HTT 3273/4885NPSR1 1373/4885

“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.