SCHEMBL6732068

SCHEMBL6732068

CC1(c2ccccc2)CCCN(c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.50
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
METAP2 P50579 1/20 0.39
ADAM17 P78536 1/20 0.39
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22147808 0.90 HSD11B1 (0.56) HSD11B1MMP1MMP2MMP9RAB9A
SCHEMBL6733713 0.90 HSD11B1 (0.56) HSD11B1MMP1MMP2MMP9RAB9A
SCHEMBL27621612 0.81 RAB9A (0.48) HSD11B1RAB9AMEN1NPC1KMT2A
SCHEMBL17080099 0.80 MMP1 (0.48) HSD11B1MMP1MMP2MMP9RAB9A
SCHEMBL24596426 0.78 HSD11B1 (0.63) HSD11B1MMP1MMP2MMP9METAP2
SCHEMBL22147809 0.78 MMP1 (0.48) HSD11B1MMP1MMP2MMP9RAB9A
SCHEMBL22365621 0.78 MMP1 (0.48) HSD11B1MMP1MMP2MMP9RAB9A
SCHEMBL22147547 0.77 HSD11B1 (0.64) HSD11B1MMP1MMP2MMP9HDAC8
SCHEMBL27551312 0.76 HSD11B1 (0.42) HSD11B1RAB9AMEN1NPC1KMT2A
SCHEMBL22147742 0.75 MMP1 (0.43) HSD11B1MMP1MMP2MMP9MEN1

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
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 3696/4885MMP1 4515/4885MMP2 3754/4885

“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.