SCHEMBL1042950

SCHEMBL1042950

CC(=O)N1CC(C)(C)c2ccc(I)cc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.62
CNR2 P34972 1/20 0.39
XIAP P98170 7/20 0.38
BIRC2 Q13490 7/20 0.38
AMPD2 Q01433 1/20 0.38
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL17636177 0.83 NOTUM (0.63) NOTUMXIAPBIRC2AMPD2
SCHEMBL430124 0.83 NOTUM (0.64) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL9687259 0.83 NOTUM (0.64) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL395606 0.81 NOTUM (0.62) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL31481108 0.81 NOTUM (0.62) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL17446878 0.81 NOTUM (0.62) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL31481087 0.81 NOTUM (0.62) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL1612802 0.80 NOTUM (0.39) NOTUMCNR2XIAPBIRC2
SCHEMBL17447342 0.80 NOTUM (0.60) NOTUM
SCHEMBL15032891 0.79 NOTUM (0.59) NOTUMCNR2XIAPBIRC2AMPD2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2049115-B1 ALKYNE-SUBSTITUTED PYRIDONE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2013-08-21 EP disclosed
EP-2049115-B1 ALKYNE-SUBSTITUTED PYRIDONE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2013-08-21 EP disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-8063055-B2 Substituted pyridone compounds and methods of use AMGEN INC. (US) 2011-11-22 US disclosed
WO-2008008493-A2 ALKYNE-SUBSTITUTED PYRIDONE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-01-17 WO disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (4 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NOTUM 4177/4885CNR2 171/4885XIAP 2184/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NOTUM 4177/4885CNR2 171/4885XIAP 2184/4885
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 NOTUM 4008/4885CNR2 1496/4885XIAP 202/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NOTUM 3991/4885CNR2 150/4885XIAP 2075/4885

“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.