SCHEMBL2545822

SCHEMBL2545822

COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(I)ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 1.00
ALDH1A1 P00352 1/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
CNR2 P34972 1/20 1.00
RECQL P46063 1/20 1.00
TDP1 Q9NUW8 1/20 1.00

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
SCHEMBL29385060 1.00 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10665988 0.92 CNR1 (0.85) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL15126343 0.90 CNR1 (0.81) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10460131 0.89 CNR1 (0.80) CNR1ALDH1A1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9690612 0.87 CNR1 (0.77) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9691060 0.86 CNR1 (0.75) CNR1ALDH1A1TP53CYP1A2CYP3A4
Pravadoline SCHEMBL488940 0.85 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
Pravadoline SCHEMBL30353006 0.85 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL17038792 0.85 CNR1 (0.75) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL17035910 0.85 CNR1 (0.75) CNR1ALDH1A1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146345-A2 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF Teon Therapeutics, Inc. (US) 2023-03-15 EP claimed
WO-2021226206-A2 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2021-11-11 WO claimed
EP-1773308-A1 COMBINATION OF BUPROPION AND A SECOND COMPOUND FOR AFFECTING WEIGHT LOSS Orexigen Therapeutics, Inc. (US) 2007-04-18 EP claimed
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2006-07-20 US claimed
US-20060100205-A1 Compositions for affecting weight loss U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2006-05-11 US claimed
WO-2006017504-A1 COMBINATION OF BUPROPION AND A SECOND COMPOUND FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
WO-2005107806-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2005-11-17 WO claimed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO claimed
EP-2943564-B1 SL327 FOR USE IN SKIN REGENERATION INT STEM CELL CORPORATION (US) 2026-03-25 EP disclosed
US-12357604-B2 Topical formulations of cannabinoids and use thereof in the treatment of pain INMED PHARMACEUTICALS INC. (CA) 2025-07-15 US disclosed
US-20240252504-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS INC (US) 2024-08-01 US disclosed
US-11957689-B2 Cannabinoid receptor type 2 (CB2) modulators and uses thereof TEON THERAPEUTICS, INC. (US) 2024-04-16 US disclosed
US-20230404990-A1 NEUROPROTECTIVE CB2 RECEPTOR AGONISTS CLEVELAND CLINIC FOUND (US) 2023-12-21 US disclosed
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC (CA) 2023-08-31 US disclosed
US-20060100205-A1 Compositions for affecting weight loss U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2006-05-11 US disclosed
US-20060058293-A1 Combination of bupropion and a second compound for affecting weight loss U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2006-03-16 US disclosed
WO-2005107806-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2005-11-17 WO disclosed
US-20040254208-A1 Using mixture of opioid receptor antagonist and melanocortin antagonist; suppression appetites WILMINGTON SAVINGS FUND SOCIETY, FSB 2004-12-16 US disclosed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO disclosed
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 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 (9 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-20060100205-A1 Compositions for affecting weight loss OPRL1, CNR2, OPRK1 CNR1 4/4885ALDH1A1 3537/4885TP53 4882/4885
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES CNR1, CNR2, SARS1 CNR1 1/4885ALDH1A1 3300/4885TP53 4649/4885
US-12357604-B2 Topical formulations of cannabinoids and use thereof in the treatment of pain CNR2, CNR1, LCAT CNR1 2/4885ALDH1A1 4229/4885TP53 4396/4885
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage CNR2, CNR1, PTGS2 CNR1 2/4885ALDH1A1 2284/4885TP53 4769/4885
US-20060058293-A1 Combination of bupropion and a second compound for affecting weight loss MC4R, MC3R, MC5R CNR1 24/4885ALDH1A1 4366/4885TP53 4854/4885
US-20040254208-A1 Using mixture of opioid receptor antagonist and melanocortin antagonist; suppression appetites MC4R, MC3R, MC5R CNR1 82/4885ALDH1A1 4405/4885TP53 4834/4885
US-20240252504-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF CNR2, CNR1, GPR18 CNR1 2/4885ALDH1A1 3600/4885TP53 4814/4885
US-11957689-B2 Cannabinoid receptor type 2 (CB2) modulators and uses thereof CNR2, CNR1, GPR18 CNR1 2/4885ALDH1A1 3600/4885TP53 4814/4885
US-20230404990-A1 NEUROPROTECTIVE CB2 RECEPTOR AGONISTS CNR1, CNR2, CHRNA2 CNR1 1/4885ALDH1A1 3740/4885TP53 3894/4885

“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.