SCHEMBL444389

SCHEMBL444389

CC(C)(C)OC(=O)N1CCCC1COc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.47
FEN1 P39748 1/20 0.47
GPR119 Q8TDV5 2/20 0.41
CHEK2 O96017 1/20 0.41
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
F2RL3 Q96RI0 2/20 0.40
STS P08842 1/20 0.38

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
SCHEMBL444388 1.00 ALOX5AP (0.47) ALOX5APFEN1GPR119CHEK2CHRNB1
SCHEMBL447803 1.00 ALOX5AP (0.47) ALOX5APFEN1GPR119CHEK2CHRNB1
SCHEMBL1654882 0.88 ALOX5AP (0.50) ALOX5APFEN1GPR119CHEK2F2RL3
SCHEMBL6224599 0.87 CHRNB4 (0.43) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3147108 0.87 CHRNB4 (0.43) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL25594931 0.86 ALOX5AP (0.47) ALOX5APFEN1GPR119CHEK2CHRNB1
SCHEMBL25594925 0.86 ALOX5AP (0.47) ALOX5APFEN1GPR119CHEK2CHRNB1
SCHEMBL5259527 0.86 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL446091 0.84 CHRNB4 (0.48) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL1264856 0.84 CHRNB4 (0.48) ALOX5APFEN1GPR119CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
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-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US 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-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP 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-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO 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 (8 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALOX5AP 94/4885FEN1 612/4885GPR119 355/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALOX5AP 117/4885FEN1 643/4885GPR119 205/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALOX5AP 562/4885FEN1 1651/4885GPR119 302/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALOX5AP 607/4885FEN1 1004/4885GPR119 356/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALOX5AP 562/4885FEN1 1651/4885GPR119 302/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALOX5AP 607/4885FEN1 1004/4885GPR119 356/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 ALOX5AP 1721/4885FEN1 3893/4885GPR119 834/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALOX5AP 117/4885FEN1 643/4885GPR119 205/4885

“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.