SCHEMBL6734403

SCHEMBL6734403

CN1CCCC(Cc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.56
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ROCK2 O75116 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5088875 0.90 HSD11B1 (0.59) HSD11B1DDB1CRBNALDH1A1ROCK2
SCHEMBL9834895 0.81 HSD11B1 (0.60) HSD11B1DDB1CRBNALDH1A1ROCK2
SCHEMBL22450145 0.81 HSD11B1 (0.56) HSD11B1DDB1CRBNALDH1A1ROCK2
SCHEMBL6732065 0.79 HSD11B1 (0.55) HSD11B1DDB1CRBNALDH1A1KMT2A
SCHEMBL22450119 0.79 HSD11B1 (0.51) HSD11B1ALDH1A1
SCHEMBL1844700 0.76 HSD11B1 (0.48) HSD11B1ALDH1A1KMT2A
SCHEMBL25698319 0.75 CARM1 (0.50) CARM1PRMT6ALDH1A1KMT2A
SCHEMBL3125721 0.75 HSD11B1 (0.50) HSD11B1KMT2A
SCHEMBL717587 0.74 DDB1 (0.50) HSD11B1DDB1CRBNALDH1A1NPC1
SCHEMBL5106732 0.73 HSD11B1 (0.59) HSD11B1DDB1CRBNALDH1A1ROCK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712140-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS California Institute of Technology (US) 2020-09-23 EP disclosed
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 HSD11B1 3696/4885DDB1 1094/4885CRBN 189/4885

“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.