SCHEMBL30782852

SCHEMBL30782852

Cc1cc(-c2cccc3c2COCC3CN(C)C(=O)OC(C)(C)C)ccn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
UCHL1 P09936 2/20 0.33
AAK1 Q2M2I8 2/20 0.32
WNT3A P56704 4/20 0.32
PDK2 Q15119 1/20 0.31
BUB1 O43683 1/20 0.30
CNR2 P34972 1/20 0.30
HTR2C P28335 2/20 0.30
SLC6A4 P31645 2/20 0.30
KDM4C Q9H3R0 1/20 0.30
USP30 Q70CQ3 1/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL30782903 1.00 BRD4 (0.34) BRD4CREBBPUCHL1AAK1WNT3A
SCHEMBL30782909 0.90 GRM5 (0.34) UCHL1AAK1
SCHEMBL30782862 0.90 GRM5 (0.34) UCHL1AAK1
SCHEMBL30782883 0.89 PARP15 (0.35) UCHL1PDK2HTR2CSLC6A4
SCHEMBL30782833 0.89 PARP15 (0.35) UCHL1PDK2HTR2CSLC6A4
SCHEMBL30782900 0.83 ACACB (0.41) BRD4CREBBPUCHL1AAK1WNT3A
SCHEMBL31664593 0.82 BRD4 (0.36) BRD4CREBBPPDK2HTR2CSLC6A4
SCHEMBL31664591 0.82 BRD4 (0.36) BRD4CREBBPPDK2HTR2CSLC6A4
SCHEMBL29923610 0.81 BRD4 (0.33) BRD4CREBBPUCHL1AAK1WNT3A
SCHEMBL29923128 0.81 BRD4 (0.33) BRD4CREBBPUCHL1AAK1WNT3A

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-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed