SCHEMBL444836

SCHEMBL444836

Nc1ccc(C(F)(F)F)c(OCCN2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.53
PTGS2 P35354 2/20 0.53
PTGS1 P23219 1/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 5/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL447193 0.99 LTA4H (0.54) LTA4HPTGS2PTGS1HTR2AHTR2C
SCHEMBL4371676 0.88 LTA4H (0.48) LTA4HPTGS2PTGS1HTR2AHTR2C
SCHEMBL30950884 0.88 CYP1A2 (0.51) LTA4HPTGS2PTGS1HTR2AHTR2C
SCHEMBL4270618 0.88 CYP1A2 (0.51) LTA4HPTGS2PTGS1HTR2AHTR2C
SCHEMBL448001 0.86 CYP1A2 (0.64) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL13946680 0.84 LTA4H (0.55) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL17848348 0.80 LTA4H (0.73) LTA4HPTGS2CYP1A2CYP2D6CYP2C19
SCHEMBL14970707 0.80 LTA4H (0.73) LTA4HPTGS2CYP1A2CYP2D6CYP2C19
SCHEMBL3442370 0.79 LTA4H (0.60) LTA4HPTGS2PTGS1HTR2AHTR2C
SCHEMBL4023501 0.79 TSHR (0.64) LTA4HPTGS2PTGS1HTR2AHTR2C

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 LTA4H 500/4885PTGS2 617/4885PTGS1 327/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LTA4H 436/4885PTGS2 301/4885PTGS1 195/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LTA4H 339/4885PTGS2 300/4885PTGS1 173/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LTA4H 417/4885PTGS2 347/4885PTGS1 188/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LTA4H 436/4885PTGS2 301/4885PTGS1 195/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LTA4H 1087/4885PTGS2 467/4885PTGS1 239/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 LTA4H 733/4885PTGS2 87/4885PTGS1 64/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LTA4H 436/4885PTGS2 301/4885PTGS1 195/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LTA4H 1087/4885PTGS2 467/4885PTGS1 239/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LTA4H 417/4885PTGS2 347/4885PTGS1 188/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 LTA4H 1244/4885PTGS2 285/4885PTGS1 217/4885

“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.