SCHEMBL29326515

SCHEMBL29326515

Cc1nc(N[C@@H]2CCCC[C@@]2(C)O)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.49
IL1B P01584 14/20 0.49
TNF P01375 2/20 0.49
KCNH2 Q12809 1/20 0.49
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL29326575 0.94 IL1B (0.51) NLRP3IL1BTNFKCNH2
SCHEMBL29326777 0.89 IL1B (0.46) NLRP3IL1BTNFKCNH2PGR
SCHEMBL29326550 0.87 PGR (0.38) NLRP3IL1BTNFKCNH2PGR
SCHEMBL29326631 0.87 IL1B (0.48) NLRP3IL1BTNFKCNH2
SCHEMBL29326561 0.86 IL1B (0.52) NLRP3IL1BTNFKCNH2PGR
SCHEMBL29326544 0.85 IL1B (0.47) NLRP3IL1BTNFKCNH2PGR
SCHEMBL29975632 0.84 NLRP3 (0.55) NLRP3IL1BTNFKCNH2
SCHEMBL24696179 0.83 NLRP3 (0.54) NLRP3IL1BTNFKCNH2
SCHEMBL24695700 0.82 IL1B (0.69) NLRP3IL1BTNFKCNH2
SCHEMBL29326389 0.82 IL1B (0.69) NLRP3IL1BTNFKCNH2

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 NLRP3 1/4885IL1B 11/4885TNF 67/4885

“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.