SCHEMBL21569736

SCHEMBL21569736

CC(C)(C)NC1CN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
BCHE P06276 7/20 0.50
BACE1 P56817 6/20 0.50
FUCA1 P04066 2/20 0.50
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MC4R P32245 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL2885290 0.87 BACE1 (0.64) ACHEBCHEBACE1ALDH1A1
SCHEMBL13761943 0.87 BACE1 (0.64) ACHEBCHEBACE1ALDH1A1
SCHEMBL8259147 0.87 BACE1 (0.64) ACHEBCHEBACE1ALDH1A1
SCHEMBL13761638 0.85 ALDH1A1 (0.60) ACHEBCHEBACE1ALDH1A1
SCHEMBL3307906 0.83 ACHE (0.62) ACHEBCHEBACE1SIGMAR1ALDH1A1
SCHEMBL8259127 0.83 FUCA1 (0.47) ACHEBCHEBACE1FUCA1SIGMAR1
SCHEMBL8187685 0.80 FUCA1 (0.55) ACHEBCHEBACE1FUCA1SIGMAR1
SCHEMBL22593919 0.78 FUCA1 (0.61) ACHEFUCA1SIGMAR1ALDH1A1MC4R
SCHEMBL1814808 0.77 ACHE (0.55) ACHEBCHEBACE1FUCA1SIGMAR1
SCHEMBL12384414 0.77 FUCA1 (0.55) ACHEBCHEBACE1FUCA1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 ACHE 4800/4885BCHE 4721/4885BACE1 4659/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 ACHE 4630/4885BCHE 4727/4885BACE1 4492/4885

“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.