SCHEMBL30429485

SCHEMBL30429485

N#Cc1ccc(C(=O)N2CCC3(CCO3)CC2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SLC6A9 P48067 2/20 0.39
SLC6A5 Q9Y345 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 2/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
CCKBR P32239 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
RORC P51449 2/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL26133816 1.00 EPHX2 (0.41) EPHX2SMN1; SMN2SCN5ASCN9ASLC6A9
SCHEMBL23981996 0.85 SMN1; SMN2 (0.46) EPHX2SMN1; SMN2ALDH1A1CYP2C19CYP2C9
SCHEMBL30396674 0.84 SLC6A9 (0.40) EPHX2SMN1; SMN2SCN5ASCN9ASLC6A9
SCHEMBL23981666 0.84 SLC6A9 (0.40) EPHX2SMN1; SMN2SCN5ASCN9ASLC6A9
SCHEMBL26102750 0.81 USP2 (0.39) EPHX2SMN1; SMN2SCN5ASCN9ASLC6A9
SCHEMBL26101415 0.80 USP2 (0.39) SMN1; SMN2SCN5ASCN9ASLC6A9ALDH1A1
SCHEMBL30429753 0.80 USP2 (0.39) SMN1; SMN2SCN5ASCN9ASLC6A9ALDH1A1
SCHEMBL26103351 0.76 L3MBTL3 (0.47) SMN1; SMN2ALDH1A1NPC1KDM4EHPGD
SCHEMBL26134392 0.76 KMT2A (0.43) EPHX2SCN5ASCN9AALDH1A1HPGD
SCHEMBL30429777 0.74 SLC6A9 (0.36) EPHX2SMN1; SMN2SLC6A9SLC6A5RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA INC (US) 2025-10-30 US disclosed
EP-4423090-A2 ANTAGONISTS OF GPR39 PROTEIN Vasocardea, Inc. (US) 2024-09-04 EP disclosed
WO-2023076219-A2 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA, INC. (US) 2023-05-04 WO 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-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 EPHX2 3786/4885SMN1; SMN2 3253/4885SCN5A 2116/4885

“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.