SCHEMBL447533

SCHEMBL447533

CC(C)(C)c1ccc(N)cc1/C=C/CCN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ACHE P22303 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NR1H2 P55055 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL447534 1.00 HTT (0.39) HTTL3MBTL1SIGMAR1KDM4EACHE
SCHEMBL447371 0.79 HRH3 (0.44) HTTL3MBTL1SIGMAR1KDM4ECYP1A2
SCHEMBL447370 0.79 HRH3 (0.44) HTTL3MBTL1SIGMAR1KDM4ECYP1A2
SCHEMBL7132296 0.75 HRH3 (0.40) HTTL3MBTL1SIGMAR1KDM4ECYP1A2
SCHEMBL7132298 0.75 HRH3 (0.40) HTTL3MBTL1SIGMAR1KDM4ECYP1A2
SCHEMBL3143217 0.74 SIGMAR1 (0.48) HTTL3MBTL1SIGMAR1KDM4EACHE
SCHEMBL446112 0.73 SIGMAR1 (0.50) HTTL3MBTL1SIGMAR1KDM4EACHE
SCHEMBL5259189 0.71 ACHE (0.43) HTTL3MBTL1SIGMAR1KDM4EACHE
SCHEMBL446259 0.70 ALDH1A1 (0.53) L3MBTL1KDM4EALDH1A1
SCHEMBL446260 0.70 ALDH1A1 (0.53) L3MBTL1KDM4EALDH1A1

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-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-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
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP 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
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (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 HTT 1717/4885L3MBTL1 1694/4885SIGMAR1 1627/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885L3MBTL1 1533/4885SIGMAR1 2397/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HTT 1959/4885L3MBTL1 2156/4885SIGMAR1 2111/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTT 1813/4885L3MBTL1 1828/4885SIGMAR1 1841/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885L3MBTL1 1533/4885SIGMAR1 2397/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HTT 2723/4885L3MBTL1 2529/4885SIGMAR1 1803/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 HTT 3607/4885L3MBTL1 3094/4885SIGMAR1 4281/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885L3MBTL1 1533/4885SIGMAR1 2397/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HTT 2723/4885L3MBTL1 2529/4885SIGMAR1 1803/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTT 1813/4885L3MBTL1 1828/4885SIGMAR1 1841/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 HTT 3166/4885L3MBTL1 2679/4885SIGMAR1 757/4885

“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.