SCHEMBL450748

SCHEMBL450748

CC(=O)N1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.46
SNCA P37840 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
ESPL1 Q14674 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9148051 0.85 AKR1B1 (0.46) AKR1B1MAPTAPAF1CACNA1BAPBA1
SCHEMBL9147726 0.85 AKR1B1 (0.43) AKR1B1MAPTAPAF1CACNA1BAPBA1
SCHEMBL16101298 0.85 AKR1B1 (0.46) AKR1B1MAPTAPAF1CACNA1BAPBA1
SCHEMBL4971386 0.83 AKR1B1 (0.44) AKR1B1MAPTKDM4EAPAF1CACNA1B
SCHEMBL4971376 0.83 AKR1B1 (0.44) AKR1B1MAPTKDM4EAPAF1CACNA1B
SCHEMBL446546 0.83 MAPT (0.45) AKR1B1MAPTKDM4ELMNARECQL
SCHEMBL27311167 0.82 AKR1B1 (0.45) AKR1B1SNCAMAPTKDM4EAPAF1
SCHEMBL89954 0.81 AKR1B1 (0.43) AKR1B1MAPTRECQLMEN1KMT2A
SCHEMBL9144999 0.81 MAPT (0.50) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL9145511 0.81 AKR1B1 (0.46) AKR1B1MAPTKDM4EAPAF1CACNA1B

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 34 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-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 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
US-5278158-A Heteropolycyclic pyridyl or pyridyl oxide YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-01-11 US disclosed
EP-0500319-A1 Oxazinobenzazole compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1992-08-26 EP 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 AKR1B1 75/4885SNCA 2059/4885MAPT 4232/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR AKR1B1 153/4885SNCA 1326/4885MAPT 4084/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO AKR1B1 45/4885SNCA 3153/4885MAPT 4734/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO AKR1B1 111/4885SNCA 3192/4885MAPT 4726/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR AKR1B1 153/4885SNCA 1326/4885MAPT 4084/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 AKR1B1 107/4885SNCA 1262/4885MAPT 2262/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 AKR1B1 177/4885SNCA 3663/4885MAPT 4542/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR AKR1B1 153/4885SNCA 1326/4885MAPT 4084/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 AKR1B1 107/4885SNCA 1262/4885MAPT 2262/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO AKR1B1 111/4885SNCA 3192/4885MAPT 4726/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 AKR1B1 36/4885SNCA 2355/4885MAPT 3731/4885

“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.