SCHEMBL427423

SCHEMBL427423

CC(C)(CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 2/20 0.53
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1B1 Q16678 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CTSB P07858 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTT P42858 1/20 0.44

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
Aniline SCHEMBL27545632 0.91 KCNJ1 (0.46) KCNJ1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11490305 0.84 ALDH1A1 (0.55) KCNJ1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8353424 0.80 SIGMAR1 (0.50) ALDH1A1KMT2APOLBMEN1
SCHEMBL427422 0.79 SIGMAR1 (0.49) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL464585 0.78 SIGMAR1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL852960 0.76 KCNJ1 (0.79) KCNJ1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL14515341 0.74 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL26219608 0.74 KMT2A (0.56) KCNJ1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL15997421 0.73 SIRT6 (0.53) KCNJ1ALDH1A1LMNAKMT2APOLB
SCHEMBL2377976 0.73 MAPT (0.55) KCNJ1MAPTALDH1A1LMNASMN1; SMN2

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 40 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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US 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
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 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-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 CN disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (5 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 KCNJ1 2494/4885MAPT 4232/4885ALDH1A1 389/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KCNJ1 3004/4885MAPT 4734/4885ALDH1A1 261/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KCNJ1 2854/4885MAPT 4726/4885ALDH1A1 327/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KCNJ1 2494/4885MAPT 4232/4885ALDH1A1 389/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KCNJ1 2854/4885MAPT 4726/4885ALDH1A1 327/4885

“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.