SCHEMBL861630

SCHEMBL861630

CCCCCc1ccnn1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
TBXAS1 P24557 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MPO P05164 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR8 Q9NR97 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL16861288 0.88 SLC9A1 (0.37) SLC9A1KDM5AKDM5BMPOCYP1A2
SCHEMBL13500287 0.87 SLC9A1 (0.39) SLC9A1KDM5AKDM5BMPOCYP1A2
Oxazole SCHEMBL27942106 0.87 KDM5A (0.34) SLC9A1TLR7KDM5AKDM5BTBXAS1
SCHEMBL19304399 0.85 TLR7 (0.42) TLR7KDM5AKDM5BTBXAS1TDP1
SCHEMBL3509109 0.84 KDM5A (0.40) TLR7KDM5AKDM5BTBXAS1TDP1
SCHEMBL16815457 0.84 SLC9A1 (0.39) SLC9A1KDM5AKDM5BTBXAS1MPO
SCHEMBL8599492 0.81 CYP3A4 (0.44) TLR7KDM5AKDM5BTBXAS1TDP1
SCHEMBL4563226 0.80 SLC9A1 (0.40) SLC9A1TBXAS1TDP1MPOCYP1A2
SCHEMBL2494852 0.80 SLC9A1 (0.36) SLC9A1MPOCYP1A2CYP2C9CYP2C19
SCHEMBL21217018 0.79 TLR7 (0.43) TLR7KDM5AKDM5BTBXAS1TDP1

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 794 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220057416-A1 METHOD FOR OPTIMIZATION OF CANNABIS DOSAGE AND MIXTURE OF ACTIVE CANNABINOIDS THSEE LLC (US) 2022-02-24 US claimed
CN-113045498-A 1, 5-diaryl pyrazole derivative, synthesis method and application 江苏食品药品职业技术学院 2021-06-29 CN claimed
WO-2020132691-A1 METHOD FOR OPTIMIZATION OF CANNABIS DOSAGE AND MIXTURE OF ACTIVE CANNABINOIDS THSEE, LLC (US) 2020-06-25 WO claimed
US-9326967-B2 Vaporizable cannabinoid compositions PERRY STEPHEN C (US) 2016-05-03 US claimed
US-20100298622-A1 APPARATUSES AND TECHNIQUES FOR BIOACTIVE DRUG DELIVERY IN THE PROSTATE GLAND VANCE WASEET 2010-11-25 US claimed
US-20070225544-A1 APPARATUSES AND TECHNIQUES FOR BIOACTIVE DRUG DELIVERY IN THE PROSTATE GLAND VANCE WASEET 2007-09-27 US claimed
WO-2007098443-A2 APPARATUSES AND TECHNIQUES FOR BIOACTIVE DRUG DELIVERY IN THE PROSTATE GLAND VANCE WASEET (US) 2007-08-30 WO claimed
EP-1752149-A1 CB1 Antagonists or inverse agonists as therapeutical agents for the treatment of inflammation involving gene expression LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-14 EP claimed
WO-2004055211-A2 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING NEURODEGENERATIVE PATHOLOGIES EXONHIT THERAPEUTICS SA (FR) 2004-07-01 WO claimed
JP-5320137-A None JP disclosed
US-20240226124-A9 CANNABIDIOL FOR TREATING NEURODEGENERATIVE DISEASES AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2024-07-11 US disclosed
US-20240189329-A1 WATER-SOLUBLE CANNABIS CANNABINOID SYSTEMS FOR INFUSING PRODUCTS WITH NANOEMULSIONS HAVING NANOSCALE SIZES HEXO OPERATIONS INC. (CA) 2024-06-13 US disclosed
EP-4373483-A1 COMBINATION OF A KETONE BODY OR KETOGENIC COMPOUND WITH AN ANALGESIC OR ANTIOXIDANT KetoSwiss AG (CH) 2024-05-29 EP disclosed
US-20240148896-A1 HYDROGEL PRODRUG FOR TREATMENT VIKING SCIENTIFIC, INC. 2024-05-09 US disclosed
EP-0534800-A2 Regioselective synthesis of 1,5-diaryl pyrazole anti-inflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-03-31 EP disclosed
EP-0534800-A2 Regioselective synthesis of 1,5-diaryl pyrazole anti-inflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-03-31 EP disclosed
US-5117054-A Chemical intermediate for antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-26 US disclosed
US-5117054-A Chemical intermediate for antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-26 US disclosed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 EP disclosed
CN-87103953-A Pharmaceutically active 1, 5-diaryl-3-substituted pyrazoles and synthesis method thereof 1987-12-09 CN disclosed