SCHEMBL21569732

SCHEMBL21569732

CC(=O)N1CCC(CN(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.40
EPHX2 P34913 4/20 0.37
EPHX1 P07099 3/20 0.37
LIMK2 P53671 1/20 0.36
BRD4 O60885 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNB4 P30926 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
SCHEMBL22183226 1.00 NR1D1 (0.40) NR1D1EPHX2EPHX1LIMK2BRD4
SCHEMBL12506857 0.91 CYP4F2 (0.38) NR1D1EPHX2EPHX1BRD4
SCHEMBL13003572 0.88 LIMK2 (0.43) EPHX2EPHX1LIMK2CYP1A2TDP1
SCHEMBL20060297 0.86 NR1D1 (0.37) NR1D1EPHX2EPHX1LIMK2BRD4
SCHEMBL12522301 0.86 CHRNB2 (0.43) EPHX2EPHX1CHRNB2CHRNA3CHRNA4
SCHEMBL20702384 0.85 TACR3 (0.37)
SCHEMBL4328443 0.85 TACR3 (0.37)
SCHEMBL20702387 0.85 TACR3 (0.37)
SCHEMBL12136949 0.83 MMP1 (0.38) NR1D1EPHX2EPHX1LIMK2BRD4
SCHEMBL24127262 0.83 MAPT (0.46)

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-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
WO-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 WO disclosed
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-06-28 US disclosed
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-11-14 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 (3 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-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 NR1D1 937/4885EPHX2 3711/4885EPHX1 3320/4885
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 NR1D1 937/4885EPHX2 3711/4885EPHX1 3320/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 NR1D1 1139/4885EPHX2 3512/4885EPHX1 3321/4885

“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.