SCHEMBL2202052

SCHEMBL2202052

Clc1ccc(OCC2CCCN2)cc1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.91
CHRNA3 P32297 2/20 0.68

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
SCHEMBL6535093 1.00 LTA4H (0.91) LTA4HCHRNA3
SCHEMBL2202044 1.00 LTA4H (0.91) LTA4HCHRNA3
SCHEMBL4319661 0.95 LTA4H (1.00) LTA4HCHRNA3
SCHEMBL990948 0.95 LTA4H (1.00) LTA4HCHRNA3
SCHEMBL991036 0.95 LTA4H (1.00) LTA4HCHRNA3
Hydrochloric Acid SCHEMBL4310789 0.94 LTA4H (0.97) LTA4HCHRNA3
Hydrochloric Acid SCHEMBL4326187 0.94 LTA4H (0.97) LTA4HCHRNA3
Hydrochloric Acid SCHEMBL990484 0.94 LTA4H (0.97) LTA4HCHRNA3
SCHEMBL13809096 0.93 LTA4H (0.92) LTA4HCHRNA3
Hydrochloric Acid SCHEMBL4310591 0.91 LTA4H (0.90) LTA4HCHRNA3

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-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 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 (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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 LTA4H 4115/4885CHRNA3 3847/4885

“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.