SCHEMBL426296

SCHEMBL426296

O=[N+]([O-])c1ccc2ccn(CCN3CCOCC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.71
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
CTSB P07858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNJ1 P48048 1/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MTOR P42345 1/20 0.45
IRAK1 P51617 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MAOB P27338 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
SCHEMBL1122811 0.94 HTR7 (0.64) HTR7POLBMAPTPKMCTSB
SCHEMBL30410171 0.90 HTR7 (0.58) HTR7POLBMAPTPKMCTSB
SCHEMBL29039301 0.90 HTR7 (0.58) HTR7POLBMAPTPKMCTSB
SCHEMBL1121934 0.90 HTR7 (0.82) HTR7PKMALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4525372 0.88 HTR7 (0.80) HTR7PKMALDH1A1KMT2AMEN1
SCHEMBL1121912 0.88 HTR7 (0.80) HTR7PKMALDH1A1KMT2AMEN1
SCHEMBL2263627 0.84 MAPT (0.53) HTR7POLBMAPTPKMCTSB
SCHEMBL12253756 0.82 HTR7 (0.71) HTR7PKMALDH1A1KMT2AMEN1
SCHEMBL12857203 0.81 HTR7 (0.69) HTR7PKMALDH1A1KMT2AMEN1
SCHEMBL3356709 0.80 HTR7 (0.79) HTR7ALDH1A1KMT2AMEN1SMN1; 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 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-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-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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 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
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 (6 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 HTR7 593/4885POLB 687/4885MAPT 4232/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HTR7 633/4885POLB 648/4885MAPT 4734/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTR7 555/4885POLB 655/4885MAPT 4726/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HTR7 593/4885POLB 687/4885MAPT 4232/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTR7 555/4885POLB 655/4885MAPT 4726/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HTR7 633/4885POLB 648/4885MAPT 4734/4885

“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.