SCHEMBL30973447

SCHEMBL30973447

COCOc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1CCO2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.31
HTR2A P28223 6/20 0.31
HTR2B P41595 3/20 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
SCHEMBL27171809 0.84
SCHEMBL25417565 0.82 MAOB (0.40) HTR2CHTR2AHTR2B
SCHEMBL30413931 0.82 MAOB (0.40) HTR2CHTR2AHTR2B
SCHEMBL30973518 0.81
SCHEMBL30231635 0.79 PTPN1 (0.31)
SCHEMBL30973552 0.79 MAPK1 (0.30)
SCHEMBL30994153 0.79 P2RX7 (0.31)
SCHEMBL30973428 0.78
SCHEMBL10157280 0.78 P2RX7 (0.33) HTR2CHTR2AHTR2B
SCHEMBL25417561 0.78 LPL (0.33)

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