SCHEMBL446527

SCHEMBL446527

CC(C)(C)OC(=O)N1CC[C@H](COc2cc([N+](=O)[O-])ccc2C(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SCN9A Q15858 1/20 0.44
NR1D1 P20393 1/20 0.44
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
GPR119 Q8TDV5 5/20 0.41
PDE4B Q07343 1/20 0.40
CYP19A1 P11511 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL447502 1.00 RBP4 (0.50) RBP4ALDH1A1LMNAMAPTSCN9A
SCHEMBL447856 0.92 RBP4 (0.48) RBP4ALDH1A1LMNAMAPTSCN9A
SCHEMBL19690228 0.90 PDE4B (0.48) RBP4ALDH1A1LMNAMAPTSCN9A
SCHEMBL21644472 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL447381 0.85 RBP4 (0.53) RBP4ALDH1A1SCN9AALOX5APFEN1
SCHEMBL450240 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTSCN9AALOX5AP
SCHEMBL4031568 0.85 SCN9A (0.51) ALDH1A1LMNAMAPTSCN9AALOX5AP
SCHEMBL16980646 0.84 SCN9A (0.59) ALDH1A1LMNAMAPTSCN9ANR1D1
SCHEMBL4369008 0.83 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNR1D1GPR119
SCHEMBL29739675 0.83 NR1D1 (0.44) RBP4ALDH1A1LMNAMAPTSCN9A

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 47 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
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 RBP4 4015/4885ALDH1A1 261/4885LMNA 1574/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RBP4 3762/4885ALDH1A1 327/4885LMNA 1409/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885ALDH1A1 178/4885LMNA 2597/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RBP4 4070/4885ALDH1A1 192/4885LMNA 2403/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RBP4 2973/4885ALDH1A1 178/4885LMNA 2597/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RBP4 4070/4885ALDH1A1 192/4885LMNA 2403/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RBP4 3762/4885ALDH1A1 327/4885LMNA 1409/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 RBP4 3030/4885ALDH1A1 104/4885LMNA 2796/4885

“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.