SCHEMBL3046705

SCHEMBL3046705

CC(C)(C)OC(=O)N1CCC[C@@H]1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.49
SLC18A2 Q05940 1/20 0.49
KCNH2 Q12809 1/20 0.47
OPRD1 P41143 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
FKBP1A P62942 1/20 0.46
KDM1A O60341 1/20 0.46
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45

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
SCHEMBL2689602 1.00 KLK7 (0.49) KLK7SLC18A2KCNH2OPRD1MEN1
SCHEMBL13086596 1.00 KLK7 (0.49) KLK7SLC18A2KCNH2OPRD1MEN1
SCHEMBL13086758 0.93 MEN1 (0.50) KLK7OPRD1MEN1NPC1RAB9A
SCHEMBL13086595 0.92 MEN1 (0.49) KLK7OPRD1MEN1NPC1RAB9A
SCHEMBL13086597 0.91 MEN1 (0.48) KLK7OPRD1MEN1NPC1RAB9A
SCHEMBL6012084 0.91 MEN1 (0.48) KLK7OPRD1MEN1NPC1RAB9A
SCHEMBL13086353 0.91 MEN1 (0.48) KLK7OPRD1MEN1NPC1RAB9A
SCHEMBL20056683 0.90 KLK7 (0.46) KLK7OPRD1MEN1NPC1RAB9A
SCHEMBL6917036 0.88 ATM (0.44) OPRD1NPC1NR1H2
SCHEMBL698422 0.87 NR1H2 (0.54) KLK7OPRD1MEN1KMT2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
EP-1578777-B1 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2008-11-26 EP disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 US disclosed
EP-1578777-A4 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2006-08-16 EP disclosed
EP-1578777-A2 IAP BINDING COMPOUNDS The Trustees of Princeton University (US) 2005-09-28 EP disclosed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
WO-2004007529-A2 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-01-22 WO 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 (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-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents BIRC3, API5, BID KLK7 4561/4885SLC18A2 4466/4885KCNH2 4401/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 KLK7 4439/4885SLC18A2 4086/4885KCNH2 4294/4885

“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.