SCHEMBL448820

SCHEMBL448820

CN1CC(C)(C)Oc2ccc(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NISCH Q9Y2I1 1/20 0.34
BACE1 P56817 3/20 0.33
CTSD P07339 2/20 0.33
AKT1 P31749 1/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
NR3C2 P08235 1/20 0.33
RAD52 P43351 1/20 0.33
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32

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
SCHEMBL5118907 0.88 NR3C2 (0.37) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL430404 0.81 ALDH1A1 (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL13461184 0.80 AKT1 (0.38) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL7426503 0.80 MAPT (0.33) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL24359289 0.79 NR3C2 (0.40) ALDH1A1NISCHBACE1CTSDNR3C2
SCHEMBL449911 0.79 NOTUM (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL17175213 0.77 NISCH (0.52) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL655380 0.76 CTSD (0.30) BACE1CTSD
SCHEMBL655542 0.74 MEN1 (0.40) ALDH1A1MEN1KMT2ABACE1CTSD
SCHEMBL16101587 0.74 FGFR4 (0.47) MAPTBACE1CTSD

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 32 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 4084/4885KDM4E 1056/4885SMN1; SMN2 2424/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC MAPT 4232/4885KDM4E 922/4885SMN1; SMN2 1447/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885KDM4E 1056/4885SMN1; SMN2 2424/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO MAPT 4734/4885KDM4E 1133/4885SMN1; SMN2 2090/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885KDM4E 1013/4885SMN1; SMN2 1829/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885KDM4E 1056/4885SMN1; SMN2 2424/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885KDM4E 850/4885SMN1; SMN2 1788/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 MAPT 4542/4885KDM4E 1794/4885SMN1; SMN2 3639/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885KDM4E 1056/4885SMN1; SMN2 2424/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885KDM4E 850/4885SMN1; SMN2 1788/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885KDM4E 1013/4885SMN1; SMN2 1829/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885KDM4E 883/4885SMN1; SMN2 2577/4885

“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.