SCHEMBL446546

SCHEMBL446546

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
AKR1B1 P15121 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
RECQL P46063 1/20 0.35
ALOX5 P09917 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL450748 0.83 AKR1B1 (0.46) MAPTALDH1A1LMNAAKR1B1RECQL
SCHEMBL30935367 0.82 RORC (0.39) SIRT2
SCHEMBL691049 0.82 NR1H2 (0.42) SIRT2
SCHEMBL30935046 0.82 RORC (0.39) SIRT2
SCHEMBL12405350 0.81 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL30935244 0.81 KDM1A (0.33) SIRT2
SCHEMBL29984437 0.80 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2GABRA1
SCHEMBL2747833 0.80 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2GABRA1
SCHEMBL30935234 0.79 ALDH1A1 (0.36) MAPTALDH1A1LMNASIRT2SMN1; SMN2
SCHEMBL16101298 0.79 AKR1B1 (0.46) MAPTAKR1B1

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-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 MAPT 4084/4885ALDH1A1 178/4885LMNA 2597/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC MAPT 4232/4885ALDH1A1 389/4885LMNA 1555/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885ALDH1A1 178/4885LMNA 2597/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO MAPT 4734/4885ALDH1A1 261/4885LMNA 1574/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885ALDH1A1 327/4885LMNA 1409/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885ALDH1A1 178/4885LMNA 2597/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885ALDH1A1 192/4885LMNA 2403/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 MAPT 4542/4885ALDH1A1 540/4885LMNA 2660/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885ALDH1A1 178/4885LMNA 2597/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885ALDH1A1 192/4885LMNA 2403/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885ALDH1A1 327/4885LMNA 1409/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885ALDH1A1 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.