SCHEMBL29543232

SCHEMBL29543232

COc1cc(C(CN)OC)c(OC)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
TAAR1 Q96RJ0 3/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL20970894 1.00 HTR2A (0.49) HTR2ATAAR1HTR2C
SCHEMBL25075582 0.81 ADRA2A (0.56) HTR2ATAAR1HTR2C
SCHEMBL29543986 0.81 TAAR1 (0.47) TAAR1
SCHEMBL20970906 0.81 TAAR1 (0.47) TAAR1
SCHEMBL28350228 0.75 NFKB1 (0.44) HTR2ATAAR1HTR2C
SCHEMBL20450109 0.74 HTR2A (0.56) HTR2ATAAR1HTR2C
SCHEMBL13748156 0.74 P2RX3 (0.55) HTR2ATAAR1
SCHEMBL5847735 0.73 CYP2C19 (0.42) HTR2ATAAR1
SCHEMBL14655583 0.72 ADRA1A (0.68) HTR2ATAAR1
SCHEMBL25400076 0.72 HTR2A (0.50) HTR2ATAAR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452986-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME Kuleon LLC (US) 2024-10-30 EP disclosed
WO-2023225043-A1 TRICYCLIC AND TETRACYCLIC SEROTONIN RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-11-23 WO disclosed
EP-4251139-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE Wesana Health Inc. (US) 2023-10-04 EP disclosed
EP-4251181-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS Wesana Health Inc. (US) 2023-10-04 EP disclosed
WO-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 WO disclosed
WO-2023023298-A1 HALLUCINOGENIC AND NON-HALLUCINOGENIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PSILOSTERICS, LLC (US) 2023-02-23 WO disclosed
WO-2022115798-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE WESANA HEALTH INC. (US) 2022-06-02 WO disclosed
WO-2022115796-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS WESANA HEALTH INC. (US) 2022-06-02 WO disclosed