SCHEMBL31147331

SCHEMBL31147331

O=C1CCC(CCCO)(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNA3 P22001 5/20 0.45
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
DPP4 P27487 1/20 0.37
LMNA P02545 1/20 0.36
TACR1 P25103 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL31147460 0.90 MEN1 (0.53) MEN1CYP2C9KMT2AKCNA3EPHX2
SCHEMBL3965188 0.82 MEN1 (0.57) MEN1CYP2C9KMT2AKCNA3MAOA
Ethylene Glycol SCHEMBL3899600 0.80 MAOA (0.61) MEN1CYP2C9KMT2AKCNA3MAOA
SCHEMBL31147495 0.76 KMT2A (0.53) MEN1CYP2C9KMT2AKCNA3EPHX2
SCHEMBL15795307 0.76 SLC6A4 (0.54) MEN1KMT2AEPHX2MAOAMAOB
SCHEMBL31147592 0.75 MEN1 (0.49) MEN1CYP2C9KMT2AKCNA3TSHR
SCHEMBL5476636 0.75 MEN1 (0.49) MEN1CYP2C9KMT2AKCNA3EPHX2
SCHEMBL13938140 0.75 MEN1 (0.57) MEN1CYP2C9KMT2AKCNA3TSHR
SCHEMBL31147497 0.74 MAOA (0.41) MEN1KMT2AEPHX2TSHRMAOA
SCHEMBL1124803 0.74 MAOA (0.56) EPHX2MAOAMAOBTAAR1SMN1; SMN2

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
EP-4683912-A1 SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS PHARMACEUTICALS Neurasic Therapeutics Inc. (CA) 2026-01-28 EP disclosed
WO-2025035205-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVE AND A CYCLOOXYGENASE (COX) INHIBITOR, AND THEIR USE FOR THE TREATMENT OF PAIN NEURASIC THERAPEUTICS INC. (CA) 2025-02-20 WO disclosed
WO-2024192520-A1 SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS PHARMACEUTICALS NEURASIC THERAPEUTICS INC. (CA) 2024-09-26 WO disclosed