SCHEMBL29326847

SCHEMBL29326847

CC(=O)N1CCC[C@@H](CNc2nnc(-c3ccc(C(F)(F)F)cc3O)c(C)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL1B P01584 7/20 0.47
NLRP3 Q96P20 6/20 0.47
KCNH2 Q12809 1/20 0.40
CCNT1 O60563 4/20 0.38
ERN1 O75460 1/20 0.38
CYP11B2 P19099 1/20 0.38
TNF P01375 1/20 0.36
SYK P43405 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL29326142 0.90 IL1B (0.44) IL1BNLRP3CCNT1
SCHEMBL27182181 0.84 NLRP3 (0.45) IL1BNLRP3KCNH2TNF
SCHEMBL29326670 0.83 NLRP3 (0.54) IL1BNLRP3KCNH2TNFLIPC
SCHEMBL29974966 0.79 NLRP3 (0.49) IL1BNLRP3KCNH2TNFSYK
SCHEMBL27182188 0.78 IL1B (0.56) IL1BNLRP3KCNH2TNF
SCHEMBL29326831 0.78 NLRP3 (0.51) IL1BNLRP3KCNH2TNF
SCHEMBL29326829 0.78 NLRP3 (0.51) IL1BNLRP3KCNH2TNF
SCHEMBL29326138 0.78 TRPV1 (0.44) IL1BNLRP3KCNH2
SCHEMBL27182186 0.77 NLRP3 (0.43) IL1BNLRP3KCNH2TNF
SCHEMBL27182189 0.76 NLRP3 (0.47) IL1BNLRP3KCNH2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD IL1B 11/4885NLRP3 1/4885KCNH2 2120/4885

“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.