SCHEMBL6699402

SCHEMBL6699402

COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.71
PLA2G2A P14555 15/20 0.56
PLA2G1B P04054 1/20 0.50

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
SCHEMBL11824093 0.92 HTR6 (0.70) HTR6PLA2G2APLA2G1B
SCHEMBL11827008 0.91 HTR6 (0.69) HTR6PLA2G2APLA2G1B
Hydrochloric Acid SCHEMBL11827022 0.91 HTR6 (0.69) HTR6PLA2G2APLA2G1B
SCHEMBL6699386 0.90 HTR6 (0.67) HTR6PLA2G2A
SCHEMBL11826210 0.89 HTR6 (0.64) HTR6PLA2G2A
SCHEMBL11826084 0.89 HTR6 (0.66) HTR6PLA2G2APLA2G1B
SCHEMBL5764974 0.89 HTR6 (0.72) HTR6PLA2G2APLA2G1B
SCHEMBL11834372 0.87 HTR6 (0.64) HTR6PLA2G2APLA2G1B
SCHEMBL6984962 0.87 HTR6 (0.61) HTR6PLA2G2A
SCHEMBL29862561 0.86 PLA2G2A (0.59) HTR6PLA2G2A

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 7 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-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
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed
US-3979391-A 1,2,3,4-Tetrahydrocarbazoles STERLING DRUG INC. (US) 1976-09-07 US disclosed
US-3939177-A 4-Aminomethyl-9-benzyl-1,2,3,4-tetrahydrocarbazoles STERLING DRUG INC. (US) 1976-02-17 US 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 24/4885PLA2G1B 9/4885

“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.