SCHEMBL449001

SCHEMBL449001

c1ccc([C]2CCNCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
HTR7 P34969 2/20 0.49
NISCH Q9Y2I1 1/20 0.48
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
HTR1A P08908 1/20 0.45
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL497656 0.84
Dipyridyl SCHEMBL29189121 0.82 KDM4E (0.70) KDM4ELMNACCR1CCR5CCR8
SCHEMBL497780 0.80 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1515109 0.80 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL645424 0.78 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17721314 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL6885910 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL8655605 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL11767839 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29072852 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP claimed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO claimed
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-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-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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-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 KDM4E 922/4885LMNA 1555/4885CCR1 1194/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDM4E 1133/4885LMNA 1574/4885CCR1 772/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM4E 1013/4885LMNA 1409/4885CCR1 747/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDM4E 922/4885LMNA 1555/4885CCR1 1194/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM4E 1013/4885LMNA 1409/4885CCR1 747/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDM4E 1133/4885LMNA 1574/4885CCR1 772/4885

“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.