SCHEMBL447282

SCHEMBL447282

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.48
CHRNA3 P32297 5/20 0.48
ALOX5AP P20292 3/20 0.42
FEN1 P39748 1/20 0.42
FAAH O00519 2/20 0.39
GPR119 Q8TDV5 2/20 0.39

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
SCHEMBL446091 1.00 CHRNB4 (0.48) CHRNB4CHRNA3ALOX5APFEN1FAAH
SCHEMBL1264856 1.00 CHRNB4 (0.48) CHRNB4CHRNA3ALOX5APFEN1FAAH
SCHEMBL6215959 0.92 CHRNB4 (0.42) CHRNB4CHRNA3ALOX5APFEN1GPR119
SCHEMBL4098323 0.88 CHRNB4 (0.52) CHRNB4CHRNA3FAAH
SCHEMBL6225147 0.88 CHRNB4 (0.52) CHRNB4CHRNA3FAAH
SCHEMBL25594927 0.87 CHRNB4 (0.51) CHRNB4CHRNA3ALOX5APFEN1FAAH
SCHEMBL25594933 0.87 CHRNB4 (0.51) CHRNB4CHRNA3ALOX5APFEN1FAAH
SCHEMBL447803 0.84 ALOX5AP (0.47) CHRNB4CHRNA3ALOX5APFEN1GPR119
SCHEMBL444388 0.84 ALOX5AP (0.47) CHRNB4CHRNA3ALOX5APFEN1GPR119
SCHEMBL444389 0.84 ALOX5AP (0.47) CHRNB4CHRNA3ALOX5APFEN1GPR119

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 38 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
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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
CN-1538836-A Substituted amine derivatives and method of use ������������� 2004-10-20 CN disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO 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 (11 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CHRNB4 3031/4885CHRNA3 2615/4885ALOX5AP 109/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885ALOX5AP 562/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CHRNB4 3504/4885CHRNA3 2996/4885ALOX5AP 94/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CHRNB4 3455/4885CHRNA3 2850/4885ALOX5AP 117/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885ALOX5AP 562/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CHRNB4 3520/4885CHRNA3 3218/4885ALOX5AP 607/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 CHRNB4 4878/4885CHRNA3 4833/4885ALOX5AP 85/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885ALOX5AP 562/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CHRNB4 3520/4885CHRNA3 3218/4885ALOX5AP 607/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CHRNB4 3455/4885CHRNA3 2850/4885ALOX5AP 117/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CHRNB4 3877/4885CHRNA3 3546/4885ALOX5AP 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.