SCHEMBL29326604

SCHEMBL29326604

Cc1nc(N[C@H]2CCNC2=O)nnc1-c1ccc(OC(F)(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.47
HPGDS O60760 4/20 0.46
IL1B P01584 2/20 0.45
NLRP3 Q96P20 1/20 0.37
FPR2 P25090 2/20 0.35
SYK P43405 1/20 0.34
PDE2A O00408 3/20 0.33

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
SCHEMBL29326792 0.89 SCN9A (0.47) SCN9AHPGDSIL1BFPR2PDE2A
SCHEMBL29326501 0.86 NLRP3 (0.49) SCN9AIL1BNLRP3FPR2SYK
SCHEMBL29326505 0.86 NLRP3 (0.49) SCN9AIL1BNLRP3FPR2SYK
SCHEMBL29326601 0.84 NLRP3 (0.35) SCN9AHPGDSIL1BNLRP3FPR2
SCHEMBL29326596 0.82 IL1B (0.40) SCN9AHPGDSIL1BNLRP3FPR2
SCHEMBL29326496 0.80 NLRP3 (0.48) SCN9AIL1BNLRP3SYK
SCHEMBL29326508 0.80 NLRP3 (0.48) SCN9AIL1BNLRP3SYK
SCHEMBL29326512 0.80 NLRP3 (0.47) IL1BNLRP3SYK
SCHEMBL29326443 0.78 NLRP3 (0.52) IL1BNLRP3
SCHEMBL30684765 0.78 NLRP3 (0.52) IL1BNLRP3

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 SCN9A 3093/4885HPGDS 3900/4885IL1B 11/4885

“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.