SCHEMBL448665

SCHEMBL448665

CC(C)(C)OC(=O)N1CC(COc2cc(N)ccc2C(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.48
NR1H2 P55055 2/20 0.45
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
NAMPT P43490 1/20 0.42
JAK3 P52333 1/20 0.41
SCN9A Q15858 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
PDE4B Q07343 1/20 0.38
LIPE Q05469 1/20 0.37

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
SCHEMBL447381 0.91 RBP4 (0.53) RBP4NR1H2ALOX5APFEN1SCN9A
SCHEMBL445568 0.89 ALOX5AP (0.43) RBP4NR1H2ALOX5APFEN1NAMPT
SCHEMBL4102433 0.86 RBP4 (0.46) RBP4NR1H2ALOX5APFEN1NAMPT
SCHEMBL447856 0.84 RBP4 (0.48) RBP4NR1H2ALOX5APFEN1NAMPT
SCHEMBL27632890 0.82 NR1H2 (0.41) RBP4NR1H2ALOX5APFEN1NAMPT
SCHEMBL19462318 0.79 PDE4B (0.52) RBP4NR1H2ALOX5APFEN1SCN9A
SCHEMBL19462274 0.79 PDE4B (0.52) RBP4NR1H2ALOX5APFEN1SCN9A
SCHEMBL448828 0.78 ALOX5AP (0.47) NR1H2ALOX5APFEN1
SCHEMBL448827 0.78 ALOX5AP (0.47) NR1H2ALOX5APFEN1
SCHEMBL4025624 0.78 SCN9A (0.54) NR1H2ALOX5APFEN1SCN9APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US claimed
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
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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-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
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP 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
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (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 RBP4 2973/4885NR1H2 613/4885ALOX5AP 562/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC RBP4 4144/4885NR1H2 862/4885ALOX5AP 109/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885NR1H2 613/4885ALOX5AP 562/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO RBP4 4015/4885NR1H2 587/4885ALOX5AP 94/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RBP4 3762/4885NR1H2 375/4885ALOX5AP 117/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885NR1H2 613/4885ALOX5AP 562/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RBP4 4070/4885NR1H2 1340/4885ALOX5AP 607/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 RBP4 3478/4885NR1H2 801/4885ALOX5AP 85/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885NR1H2 613/4885ALOX5AP 562/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RBP4 4070/4885NR1H2 1340/4885ALOX5AP 607/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RBP4 3762/4885NR1H2 375/4885ALOX5AP 117/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 RBP4 3030/4885NR1H2 330/4885ALOX5AP 887/4885

“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.