SCHEMBL3052928

SCHEMBL3052928

CC(C)(C)OC(=O)N1CCC[C@H]1C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
STAT6 P42226 1/20 0.46
RIPK1 Q13546 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
NPC1 O15118 1/20 0.44
UCHL1 P09936 2/20 0.44
HSD17B10 Q99714 1/20 0.43
KLK7 P49862 1/20 0.43
HCRTR2 O43614 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 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
SCHEMBL3052925 1.00 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL6012032 1.00 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5152176 0.89 NPC1 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5152168 0.89 NPC1 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL28466920 0.88 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL31019026 0.88 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL22852306 0.88 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL22745294 0.87 NPSR1 (0.49) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL7487281 0.86 GPR119 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5849203 0.86 GPR119 (0.47) MEN1KMT2ALMNAALDH1A1TSHR

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 12 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
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-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 (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 655/4885KMT2A 4808/4885LMNA 487/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 MEN1 1328/4885KMT2A 4738/4885LMNA 818/4885

“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.