SCHEMBL448190

SCHEMBL448190

CN(C)CC(=O)N1CC(C)(C)c2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 15/20 0.41
XIAP P98170 14/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CNR2 P34972 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
SCHEMBL2976158 0.87 BIRC2 (0.40) BIRC2XIAPNOTUMHTR3EHTR3B
SCHEMBL11988477 0.85 BIRC2 (0.42) BIRC2XIAPNOTUMALDH1A1KMT2A
SCHEMBL2061297 0.85 BRD4 (0.38) BIRC2XIAPALDH1A1ESR1MAPT
SCHEMBL27672836 0.85 BIRC2 (0.46) BIRC2XIAPNOTUMHTR3EHTR3B
SCHEMBL1654456 0.82 XIAP (0.40) BIRC2XIAPNOTUMALDH1A1MAPT
SCHEMBL31481087 0.80 NOTUM (0.62) BIRC2XIAPNOTUMCNR2
SCHEMBL395606 0.80 NOTUM (0.62) BIRC2XIAPNOTUMCNR2
SCHEMBL31481108 0.80 NOTUM (0.62) BIRC2XIAPNOTUMCNR2
SCHEMBL11988459 0.79 BIRC2 (0.51) BIRC2XIAP
SCHEMBL2202422 0.78 IGF1R (0.39) BIRC2XIAPNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 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 (12 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR BIRC2 2823/4885XIAP 1679/4885NOTUM 2149/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC BIRC2 2582/4885XIAP 1845/4885NOTUM 1635/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR BIRC2 2823/4885XIAP 1679/4885NOTUM 2149/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO BIRC2 1856/4885XIAP 1149/4885NOTUM 1596/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO BIRC2 1788/4885XIAP 1089/4885NOTUM 2089/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR BIRC2 2823/4885XIAP 1679/4885NOTUM 2149/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 BIRC2 2732/4885XIAP 1471/4885NOTUM 1719/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 BIRC2 2723/4885XIAP 2375/4885NOTUM 2114/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR BIRC2 2823/4885XIAP 1679/4885NOTUM 2149/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 BIRC2 2732/4885XIAP 1471/4885NOTUM 1719/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO BIRC2 1788/4885XIAP 1089/4885NOTUM 2089/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 BIRC2 3058/4885XIAP 2790/4885NOTUM 2781/4885

“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.