SCHEMBL6776197

SCHEMBL6776197

NC(=O)C1CCCc2c1c1cc(OCCc3ccccc3)ccc1n2Cc1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.46
HTR6 P50406 2/20 0.45
EGFR P00533 2/20 0.42
IGF1R P08069 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42

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
SCHEMBL6771056 0.91 PLA2G2A (0.44) PLA2G2AHTR6EGFRIGF1RFLT4
SCHEMBL6771051 0.91 PLA2G2A (0.44) PLA2G2AHTR6EGFRIGF1RFLT4
SCHEMBL29862561 0.81 PLA2G2A (0.59) PLA2G2AHTR6
SCHEMBL818539 0.81 PLA2G2A (0.59) PLA2G2AHTR6
SCHEMBL817701 0.79 PLA2G2A (0.58) PLA2G2AHTR6
SCHEMBL819058 0.79 PLA2G2A (0.61) PLA2G2AHTR6
SCHEMBL29862413 0.79 PLA2G2A (0.58) PLA2G2AHTR6
Water SCHEMBL6975765 0.79 PLA2G2A (0.60) PLA2G2AHTR6
Water SCHEMBL6981285 0.79 PLA2G2A (0.57) PLA2G2AHTR6
SCHEMBL6699402 0.78 HTR6 (0.71) PLA2G2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204473-A1 Substituted tricyclics LIN HO-SHEN (US) 2004-10-14 US 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
US-20030096854-A1 Substituted tricyclics ELI LILLY AND COMPANY 2003-05-22 US disclosed
EP-1248769-A2 CARBAZOLE DERIVATIVES AS INHIBITORS OF SPLA2 ELI LILLY AND COMPANY (US) 2002-10-16 EP disclosed
WO-2001049662-A2 CARBAZOLE DERIVATIVES AS INHIBITORS OF SPLA2 ELI LILLY AND COMPANY (US) 2001-07-12 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
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 (2 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-20030096854-A1 Substituted tricyclics LITAF, PLA2G4A, LTC4S PLA2G2A 34/4885HTR6 475/4885EGFR 4878/4885
US-20040204473-A1 Substituted tricyclics PLA2G4A, PLAA, LTC4S PLA2G2A 28/4885HTR6 376/4885EGFR 4885/4885

“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.