SCHEMBL449911

SCHEMBL449911

CC(=O)N1CC(C)(C)Oc2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.40
HSD17B3 P37058 2/20 0.40
FSHR P23945 1/20 0.36
AMPD2 Q01433 1/20 0.35
FGFR4 P22455 1/20 0.33
MAPT P10636 3/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 1/20 0.33
IKBKE Q14164 1/20 0.33
MAPK14 Q16539 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL427069 0.84 NOTUM (0.43) NOTUMHSD17B3AMPD2MAPTMEN1
SCHEMBL16101587 0.84 FGFR4 (0.47) FSHRFGFR4MAPTP2RY1
SCHEMBL691049 0.82 NR1H2 (0.42) FGFR4P2RY1
SCHEMBL89951 0.80 FGFR4 (0.33) FGFR4MAPTGAAKMT2AKDM4E
SCHEMBL448820 0.79 MAPT (0.38) MAPTMEN1MITFGAAMAPK1
SCHEMBL9341306 0.75 P2RY1 (0.42) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL31481087 0.75 NOTUM (0.62) NOTUMHSD17B3FSHRAMPD2CHEK1
SCHEMBL31481108 0.75 NOTUM (0.62) NOTUMHSD17B3FSHRAMPD2CHEK1
SCHEMBL395606 0.75 NOTUM (0.62) NOTUMHSD17B3FSHRAMPD2CHEK1
SCHEMBL9339291 0.74 CYP1A2 (0.50) MAPTMEN1KMT2ASMN1; SMN2TDP1

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-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 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-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
US-5278158-A Heteropolycyclic pyridyl or pyridyl oxide YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-01-11 US disclosed
EP-0500319-A1 Oxazinobenzazole compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1992-08-26 EP 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 (11 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 NOTUM 1635/4885HSD17B3 1709/4885FSHR 2145/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOTUM 2149/4885HSD17B3 1160/4885FSHR 1122/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NOTUM 1596/4885HSD17B3 1385/4885FSHR 2267/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NOTUM 2089/4885HSD17B3 1519/4885FSHR 1809/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOTUM 2149/4885HSD17B3 1160/4885FSHR 1122/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NOTUM 1719/4885HSD17B3 1151/4885FSHR 1592/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 NOTUM 2114/4885HSD17B3 2468/4885FSHR 2848/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOTUM 2149/4885HSD17B3 1160/4885FSHR 1122/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NOTUM 1719/4885HSD17B3 1151/4885FSHR 1592/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NOTUM 2089/4885HSD17B3 1519/4885FSHR 1809/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 NOTUM 2781/4885HSD17B3 1137/4885FSHR 611/4885

“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.