SCHEMBL8187685

SCHEMBL8187685

CNC1CN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.55
ACHE P22303 7/20 0.54
BCHE P06276 7/20 0.54
BACE1 P56817 6/20 0.54
SIGMAR1 Q99720 1/20 0.52
MC4R P32245 1/20 0.48
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL724604 0.86 ACHE (0.69) ACHEBCHEBACE1SIGMAR1
SCHEMBL242759 0.86 ACHE (0.69) ACHEBCHEBACE1SIGMAR1
SCHEMBL242760 0.86 ACHE (0.69) ACHEBCHEBACE1SIGMAR1
Bromide SCHEMBL2497824 0.84 ACHE (0.68) ACHEBCHEBACE1SIGMAR1
SCHEMBL6128786 0.83 CYP1A2 (0.60) ACHEBCHEBACE1
SCHEMBL2730825 0.83 CYP1A2 (0.60) ACHEBCHEBACE1
SCHEMBL350928 0.83 CYP1A2 (0.60) ACHEBCHEBACE1
SCHEMBL1814808 0.81 ACHE (0.55) FUCA1ACHEBCHEBACE1SIGMAR1
SCHEMBL4619365 0.81 FUCA1 (0.51) FUCA1ACHEBCHEBACE1SIGMAR1
SCHEMBL13102792 0.81 FUCA1 (0.51) FUCA1ACHEBCHEBACE1SIGMAR1

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
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
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed
WO-2000063168-A1 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORPORATION (US) 2000-10-26 WO disclosed
WO-1999019297-A9 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORP (US) 1999-07-08 WO disclosed
WO-1999019297-A1 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORPORATION (US) 1999-04-22 WO 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 FUCA1 2553/4885ACHE 4800/4885BCHE 4721/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 FUCA1 2756/4885ACHE 4630/4885BCHE 4727/4885

“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.