SCHEMBL30632554

SCHEMBL30632554

CCC(c1ccccc1)C1(C(N)=O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.37
AOC3 Q16853 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
HPGD P15428 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ADORA1 P30542 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 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
SCHEMBL18342994 0.97 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKDM4ETSHR
SCHEMBL5815457 0.95 CHRM2 (0.40) ALDH1A1LMNAMAPTKDM4ETSHR
SCHEMBL20898407 0.86 CYP3A4 (0.35) ALDH1A1LMNAKDM4EPOLB
SCHEMBL515733 0.86 GABBR2 (0.41) ALDH1A1LMNACYP2D6MEN1KMT2A
SCHEMBL28899706 0.83 OPRM1 (0.43) ALDH1A1POLBOPRK1
SCHEMBL20899363 0.80 NPC1 (0.40) ALDH1A1LMNAMAPTKDM4ETSHR
SCHEMBL516114 0.77 SRC (0.41) LMNACYP2D6HPGD
SCHEMBL516716 0.77 LMNA (0.37) LMNACYP2D6HPGD
SCHEMBL29735511 0.76 GRIN2D (0.48) ALDH1A1MAPTKDM4ETSHRCYP2D6
SCHEMBL517632 0.74 ALOX5 (0.41) ALDH1A1LMNACYP2D6HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499097-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2025-02-05 EP claimed
WO-2023192360-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO claimed
EP-4499097-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2025-02-05 EP disclosed
WO-2023192360-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO disclosed