SCHEMBL5697008

SCHEMBL5697008

CCc1cc2c(OCC(=O)OC(C)(C)C)cccc2n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PLA2G2A P14555 13/20 0.44
PLA2G1B P04054 3/20 0.43
PLA2G10 O15496 2/20 0.43
PLA2G5 P39877 2/20 0.43
PLA2G2E Q9NZK7 2/20 0.43
PLA2G6 O60733 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
PLA2G12B Q9BX93 1/20 0.43
PLA2G12A Q9BZM1 1/20 0.43
PLA2G2F Q9BZM2 1/20 0.43
PLA2G3 Q9NZ20 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43

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
SCHEMBL25136 0.88 MTNR1B (0.60) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL5696981 0.86 PLA2G2A (0.49) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL5696902 0.86 PSEN1 (0.43) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL5697202 0.82 PLA2G2A (0.43) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL4757197 0.80 MTNR1B (0.52) MTNR1AMTNR1BPLA2G2APLA2G1BCCR2
SCHEMBL14620974 0.77 MTNR1B (0.52) MTNR1AMTNR1BPLA2G2APLA2G1BPLA2G10
SCHEMBL13632216 0.77 MTNR1A (0.54) MTNR1AMTNR1BPLA2G2APLA2G1BPLA2G10
SCHEMBL26473 0.77 MTNR1B (0.67) MTNR1AMTNR1BPLA2G2ACCR2
SCHEMBL3197253 0.76 MAPK1 (0.50) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL26613 0.75 PLA2G2A (0.59) MTNR1AMTNR1BPLA2G2APLA2G1BPLA2G10

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
EP-1100492-B1 INDOLE sPLA2 INHIBITORS LILLY CO ELI (US) 2006-05-24 EP disclosed
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
US-6610728-B2 SPLA2 inhibitor, secretory phospholiase A2 inhibitors 1H-indole-3-glyoxylamide compound or a pharmaceutically acceptable salt, solvate, or a prodrug ELI LILLY AND COMPANY 2003-08-26 US disclosed
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY 2003-06-26 US disclosed
US-6576654-B1 Administering a 1H-indole-3-glyoxylamide derivative as secretary phopholipase A2 inhibitor ELI LILLY AND COMPANY 2003-06-10 US disclosed
US-20030087944-A1 Method for the treatment of renal dysfunction with spla2 inhibitors CONCORD (HK) INTERNATIONAL EDUCATION LIMITED (HK) 2003-05-08 US disclosed
US-6451839-B1 Indole sPLA2 inhibitors ELI LILLY AND COMPANY 2002-09-17 US disclosed
US-6436983-B1 ADMINISTERING ((3-(2-AMINO-1,2-DIOXOETHYL)2-ETHYL-1 (PHENYLMETHYL)INDOL-4YL)OXY)ACETIC ACID, AS A NON-PANCREATIC SECRETORY PHOSPHOLIPASE SUPPRESSORS; PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2002-08-20 US disclosed
EP-1039901-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-10-04 EP disclosed
WO-1999025339-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1999-05-27 WO 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-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 MTNR1A 1292/4885MTNR1B 1484/4885PSEN1 3110/4885
US-20030087944-A1 Method for the treatment of renal dysfunction with spla2 inhibitors IDO2, SPINT2, IDO1 MTNR1A 136/4885MTNR1B 191/4885PSEN1 2281/4885
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS TPP2, PLAAT2, PLAA MTNR1A 519/4885MTNR1B 549/4885PSEN1 2171/4885

“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.