SCHEMBL6730464

SCHEMBL6730464

CC1(Cc2ccccc2)CCCNC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ELANE P08246 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
GRIN2B Q13224 1/20 0.37
CXCR3 P49682 1/20 0.37
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6727109 0.90 PDE4A (0.41) GRIN1GRIN2APDE4APDE4BPDE4C
SCHEMBL6739143 0.84 ALDH1A1 (0.40) GRIN1GRIN2AGAAPOLBALDH1A1
SCHEMBL6735608 0.82 MAOA (0.39) GRIN1GRIN2AELANEMAOAMAOB
SCHEMBL8198325 0.79 HTR1B (0.38) KMT2AMEN1
SCHEMBL6730223 0.78 GRIN1 (0.42) GRIN1GRIN2APDE4APDE4BPDE4C
SCHEMBL29269106 0.75 MAOA (0.41) GRIN1GRIN2AELANEMAOAMAOB
SCHEMBL6730461 0.74 ALDH1A1 (0.41) POLBALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL29048918 0.74 GRIN1 (0.40) GRIN1GRIN2APDE4APDE4BPDE4C
SCHEMBL11481803 0.73 GRIN1 (0.42) GRIN1GRIN2AELANEMAOAMAOB
SCHEMBL25134720 0.73 TSHR (0.45) GRIN1GRIN2ACYP1A2KMT2AMEN1

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-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US claimed
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
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 279/4885PDE4A 2150/4885

“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.