SCHEMBL6825151

SCHEMBL6825151

COC(=O)Cc1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.78
MTNR1A P48039 4/20 0.65
MTNR1B P49286 4/20 0.65
HTR1D P28221 2/20 0.60
HTR6 P50406 2/20 0.60
HTR1A P08908 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR1E P28566 1/20 0.58
HTR7 P34969 1/20 0.58
HTR5A P47898 1/20 0.58
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MCL1 Q07820 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PTPN5 P54829 1/20 0.54
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53

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
SCHEMBL30604527 1.00 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8681515 0.92 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8978316 0.91 AKR1C2 (0.72) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL5605077 0.89 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8298627 0.88 AKR1C2 (0.61) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL10205891 0.87 AKR1C2 (0.80) AKR1C2MTNR1AMTNR1BHTR1DHTR6
Deschlorobenzoyl Indomethacin SCHEMBL454792 0.87 AKR1C2 (1.00) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8681641 0.87 AKR1C2 (0.70) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL31676640 0.87 AKR1C2 (0.70) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8270880 0.86 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
WO-2008145733-A2 NOVEL CHEMICAL COMPOUNDS, PRODUCTION THEREOF, AND USE THEREOF UNIVERSITÄT LEIPZIG (DE) 2008-12-04 WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2003076403-A1 1,2-DISUBSTITUDED-6-OXO-3-PHENYL-PIPERIDINE-3-CARBOXAMIDES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-09-18 WO disclosed
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5811425-A PROSTAGLANDINS INHIBITOR FOR TREATING PAIN, FEVER, INFLAMMATION ABBOTT LABORATORIES (US) 1998-09-22 US disclosed
WO-1998039330-A1 HETEROCYCLIC COMPOUNDS AS COX-2 INHIBITORS ABBOTT LABORATORIES (US) 1998-09-11 WO disclosed
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 AKR1C2 1417/4885MTNR1A 39/4885MTNR1B 30/4885
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 AKR1C2 1305/4885MTNR1A 1315/4885MTNR1B 1385/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 AKR1C2 1010/4885MTNR1A 186/4885MTNR1B 104/4885

“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.