SCHEMBL817878

SCHEMBL817878

COc1cc(OCNC=O)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.44
TSPO P30536 2/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 5/20 0.37
FABP4 P15090 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 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
SCHEMBL29863082 0.88 HTR6 (0.51) HTR6TSPOPLA2G10PLA2G2AFABP4
SCHEMBL818490 0.88 HTR6 (0.51) HTR6TSPOPLA2G10PLA2G2AFABP4
SCHEMBL28521567 0.88 HTR6 (0.44) HTR6TSPOPLA2G10PLA2G2AFABP4
SCHEMBL29862534 0.88 HTR6 (0.47) HTR6PLA2G10PLA2G2AFABP4
SCHEMBL27862241 0.88 HTR6 (0.47) HTR6TSPOPLA2G10PLA2G2A
SCHEMBL818425 0.88 HTR6 (0.47) HTR6PLA2G10PLA2G2AFABP4
SCHEMBL6693682 0.87 HTR6 (0.49) HTR6TSPOPLA2G10PLA2G2AFABP4
SCHEMBL6129643 0.87 HTR6 (0.47) HTR6PLA2G10PLA2G2AFABP4
SCHEMBL6129641 0.87 HTR6 (0.47) HTR6PLA2G10PLA2G2AFABP4
SCHEMBL2594431 0.86 HTR6 (0.45) HTR6TSPOPLA2G10PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043991-A4 TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 2005-02-02 EP claimed
US-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days LOH ANDREW (US) 2004-06-10 US claimed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP claimed
JP-2004503586-A 2004-02-05 JP claimed
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY 2003-06-26 US claimed
US-20030092767-A1 Combination therapy for the treatment of inflammatory and respiratory diseases ELI LILLY AND COMPANY 2003-05-15 US claimed
EP-1303262-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2003-04-23 EP claimed
US-6514984-B1 Human non-pancreatic secretory phospholipase A2 inhibitors ELI LILLY AND COMPANY 2003-02-04 US claimed
EP-1259260-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2002-11-27 EP claimed
EP-1214041-A2 COMBINATION THERAPY FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2002-06-19 EP claimed
WO-2002005796-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2002-01-24 WO claimed
JP-2001522884-A 2001-11-20 JP claimed
WO-2001049323-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2001-07-12 WO claimed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US claimed
EP-1043991-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-10-18 EP claimed
WO-2000037022-A2 COMBINATION THERAPY FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2000-06-29 WO claimed
EP-1007056-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 2000-06-14 EP claimed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP claimed
WO-1999025340-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1999-05-27 WO claimed
WO-1999016453-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 1999-04-08 WO claimed

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-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days PLA2G12A, PLA2G2E, PLA2G3 HTR6 3251/4885TSPO 4329/4885PLA2G10 10/4885
US-20030092767-A1 Combination therapy for the treatment of inflammatory and respiratory diseases SERPINB1, ELANE, SPINT2 HTR6 3778/4885TSPO 4105/4885PLA2G10 97/4885
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS TPP2, PLAAT2, PLAA HTR6 1473/4885TSPO 2542/4885PLA2G10 43/4885

“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.