SCHEMBL447381

SCHEMBL447381

CC(C)(C)OC(=O)N1CCC(COc2cc(N)ccc2C(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.53
ALOX5AP P20292 3/20 0.47
FEN1 P39748 3/20 0.47
SCN9A Q15858 1/20 0.46
NR1H2 P55055 1/20 0.44
GPR119 Q8TDV5 3/20 0.42
PDE4B Q07343 1/20 0.42
CHEK2 O96017 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL448665 0.91 RBP4 (0.48) RBP4ALOX5APFEN1SCN9ANR1H2
SCHEMBL19462274 0.88 PDE4B (0.52) RBP4ALOX5APFEN1SCN9ANR1H2
SCHEMBL19462318 0.88 PDE4B (0.52) RBP4ALOX5APFEN1SCN9ANR1H2
SCHEMBL447502 0.85 RBP4 (0.50) RBP4ALOX5APFEN1SCN9AGPR119
SCHEMBL446527 0.85 RBP4 (0.50) RBP4ALOX5APFEN1SCN9AGPR119
SCHEMBL3113872 0.85 RBP4 (0.71) RBP4ALOX5APFEN1SCN9AGPR119
SCHEMBL4025624 0.82 SCN9A (0.54) ALOX5APFEN1SCN9ANR1H2PDE4B
SCHEMBL16980718 0.82 SCN9A (0.62) RBP4ALOX5APFEN1SCN9ANR1H2
SCHEMBL445568 0.81 ALOX5AP (0.43) RBP4ALOX5APFEN1SCN9ANR1H2
SCHEMBL3094585 0.81 RBP4 (0.73) RBP4ALOX5APFEN1SCN9AGPR119

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-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-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 RBP4 2973/4885ALOX5AP 562/4885FEN1 1651/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC RBP4 4144/4885ALOX5AP 109/4885FEN1 833/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885ALOX5AP 562/4885FEN1 1651/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO RBP4 4015/4885ALOX5AP 94/4885FEN1 612/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RBP4 3762/4885ALOX5AP 117/4885FEN1 643/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885ALOX5AP 562/4885FEN1 1651/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RBP4 4070/4885ALOX5AP 607/4885FEN1 1004/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 RBP4 3478/4885ALOX5AP 85/4885FEN1 3243/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885ALOX5AP 562/4885FEN1 1651/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RBP4 4070/4885ALOX5AP 607/4885FEN1 1004/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RBP4 3762/4885ALOX5AP 117/4885FEN1 643/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 RBP4 3030/4885ALOX5AP 887/4885FEN1 2050/4885

“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.