SCHEMBL30973500

SCHEMBL30973500

COc1cc(C)cc(C)c1-c1cc2c(nn1)c(C1=CCCN(C)C1)cn2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
GRM1 Q13255 2/20 0.34
HTR2A P28223 2/20 0.32
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31

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
SCHEMBL30973540 0.80 CYP2C9 (0.34) GRM5GRM1
SCHEMBL30973562 0.77 HTR2A (0.36) HTR2A
SCHEMBL30973521 0.74 HTR2A (0.36) HTR2AEHMT2EHMT1
SCHEMBL30973453 0.73 CHRM1 (0.33)
SCHEMBL30973594 0.72 CHRM1 (0.35) HTR2AEHMT2EHMT1
SCHEMBL30973438 0.71 BRD4 (0.33) GRM5GRM1
SCHEMBL30994357 0.70 WDR5 (0.35) GRM5GRM1
SCHEMBL31358051 0.64 ESR2 (0.39) GRM5GRM1
SCHEMBL30973284 0.63 IL1B (0.37) HTR2A
SCHEMBL30833939 0.59 IL1B (0.54) EHMT2

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
EP-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed