SCHEMBL84922

SCHEMBL84922

CC(C)c1ccc2[nH]ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
AHR P35869 4/20 0.50
NR4A2 P43354 2/20 0.50
CYP2A6 P11509 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL30548028 1.00 PTGS2 (0.53) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL31295446 0.84 PTGS2 (0.54) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL30614372 0.84 PTGS2 (0.54) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL17196890 0.84 PTGS2 (0.50) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL14723295 0.84 PTGS2 (0.50) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL7886722 0.84 PTGS2 (0.50) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL19901078 0.84 PTGS2 (0.50) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL20169180 0.84 PTGS2 (0.50) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL22095908 0.84 PTGS2 (0.50) PTGS2AHRNR4A2CYP2A6F7
SCHEMBL27933245 0.84 AHR (0.52) PTGS2AHRNR4A2CYP2A6F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101318924-A 5-alkyl substitution indole derivant and preparation method thereof UNIV SHANXI (CN) 2008-12-10 CN claimed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 EP disclosed
US-6562809-B1 Contraction of coronary arteries may be mediated by its stimulation of the 5-HT1B (formerly 5-HT1D beta); compounds selective for a 5-HT1D receptor NPS ALLELIX CORP. (CA) 2003-05-13 US disclosed
EP-1114049-B1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-03-19 EP disclosed
EP-1114049-A1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS Allelix Corp. (CA) 2001-07-11 EP disclosed
WO-2000017198-A1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-03-30 WO disclosed
US-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 US disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 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 (3 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 PTGS2 1229/4885AHR 1/4885NR4A2 75/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 PTGS2 1452/4885AHR 1869/4885NR4A2 451/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 PTGS2 333/4885AHR 79/4885NR4A2 302/4885

“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.