SCHEMBL13086353

SCHEMBL13086353

CC(C)(C)OC(=O)N1CCC[C@H]1CCCCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
FKBP1A P62942 6/20 0.47
STAT6 P42226 1/20 0.47
KLK7 P49862 1/20 0.46
EPHX2 P34913 2/20 0.45
OPRD1 P41143 1/20 0.44

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
SCHEMBL13086597 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL6012084 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL13086595 0.99 MEN1 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL13086758 0.95 MEN1 (0.50) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL3046705 0.91 KLK7 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL13086596 0.91 KLK7 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL2689602 0.91 KLK7 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL20056683 0.85 KLK7 (0.46) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL8188560 0.85 FKBP1A (0.52) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL8918708 0.85 ACE2 (0.44) STAT6KLK7OPRD1

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 6 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-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
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US 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
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

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 MEN1 655/4885NPC1 4365/4885RAB9A 4645/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 MEN1 1328/4885NPC1 3890/4885RAB9A 3827/4885

“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.