SCHEMBL6691695

SCHEMBL6691695

CCOC(=O)COc1cc(OC)cc2c1c1c(n2Cc2ccccc2)CCCC1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
PLA2G2A P14555 11/20 0.41
PLA2G10 O15496 2/20 0.39
PLA2G1B P04054 2/20 0.39
PLA2G5 P39877 2/20 0.39
PLA2G2E Q9NZK7 2/20 0.39
TSPO P30536 2/20 0.39

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
SCHEMBL29862534 0.91 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL27862241 0.91 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL818425 0.91 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6129641 0.90 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6129643 0.90 HTR6 (0.47) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6699097 0.89 HTR6 (0.45) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL818490 0.88 HTR6 (0.51) HTR6PLA2G2APLA2G10TSPO
SCHEMBL29863082 0.88 HTR6 (0.51) HTR6PLA2G2APLA2G10TSPO
SCHEMBL2594431 0.88 HTR6 (0.45) HTR6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6693682 0.87 HTR6 (0.49) HTR6PLA2G2APLA2G10TSPO

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
EP-1303262-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002005796-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2002-01-24 WO disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 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 (1 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 3251/4885PLA2G2A 24/4885PLA2G10 10/4885

“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.