SCHEMBL30726985

SCHEMBL30726985

O=C1c2ccccc2C(=O)N1CC12CC1CCC1(C2)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
ACHE P22303 2/20 0.34
ALDH1A1 P00352 3/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
USP19 O94966 1/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL26983572 1.00 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9ACHEALDH1A1
SCHEMBL31023116 0.74 CYP1A2 (0.49) CYP1A2CYP2C19CYP2C9ACHEALDH1A1
SCHEMBL21598055 0.73 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9ACHEALDH1A1
SCHEMBL17789326 0.69 ALDH1A1 (0.47) CYP1A2CYP2C19CYP2C9ACHEALDH1A1
SCHEMBL24453964 0.68 CYP2C9 (0.40) CYP1A2CYP2C19CYP2C9ACHEALDH1A1
SCHEMBL29534121 0.68 CYP2C9 (0.40) CYP1A2CYP2C19CYP2C9ACHEALDH1A1
SCHEMBL1274042 0.68 ALDH1A1 (0.44) CYP1A2CYP2C19CYP2C9ALDH1A1RPS6KA3
SCHEMBL633043 0.68 TSHR (0.43) CYP1A2CYP2C19CYP2C9ALDH1A1LMNA
SCHEMBL26983627 0.67 KDM4E (0.34) ALDH1A1
SCHEMBL26983543 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739680-A1 SOLID FORMS OF TRPV4 ANTAGONISTS Actio Biosciences, Inc. (US) 2026-05-13 EP disclosed
EP-4551572-A1 THERAPEUTIC COMPOUNDS AND METHODS Actio Biosciences, Inc. (US) 2025-05-14 EP disclosed
CN-119790051-A Therapeutic compounds and methods 爱克堤欧生物科学股份有限公司 2025-04-08 CN disclosed
WO-2025014818-A1 SOLID FORMS OF GSK2798745, A TRPV4 ANTAGONIST ACTIO BIOSCIENCES, INC. (US) 2025-01-16 WO disclosed
WO-2024011214-A1 THERAPEUTIC COMPOUNDS AND METHODS ACTIO BIOSCIENCES, INC. (US) 2024-01-11 WO disclosed