SCHEMBL448001

SCHEMBL448001

CC(C)(C)c1ccc(N)cc1OCCN1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 5/20 0.62
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LTA4H P09960 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
PSMB1 P20618 2/20 0.48
PSMB5 P28074 2/20 0.48
PSMB2 P49721 2/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL444836 0.86 LTA4H (0.53) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL426762 0.85 KDM4E (0.83) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL447193 0.85 LTA4H (0.54) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL13946680 0.84 LTA4H (0.55) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL4371676 0.83 LTA4H (0.48) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL4267515 0.81 LTA4H (0.61) KDM4EGAAMAPTSMN1; SMN2LTA4H
SCHEMBL31378713 0.81 LTA4H (0.61) KDM4EGAAMAPTSMN1; SMN2LTA4H
SCHEMBL4023281 0.81 HTR2C (0.60) SMN1; SMN2LTA4H
SCHEMBL5474831 0.81 HTR2C (0.60) SMN1; SMN2LTA4H
SCHEMBL14320670 0.80 SMN1; SMN2 (0.66) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E

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 CYP1A2 166/4885CYP2D6 256/4885CYP2C19 344/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP1A2 36/4885CYP2D6 41/4885CYP2C19 60/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CYP1A2 85/4885CYP2D6 146/4885CYP2C19 219/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP1A2 106/4885CYP2D6 204/4885CYP2C19 280/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP1A2 36/4885CYP2D6 41/4885CYP2C19 60/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP1A2 149/4885CYP2D6 310/4885CYP2C19 235/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 CYP1A2 201/4885CYP2D6 285/4885CYP2C19 275/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP1A2 36/4885CYP2D6 41/4885CYP2C19 60/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP1A2 149/4885CYP2D6 310/4885CYP2C19 235/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP1A2 106/4885CYP2D6 204/4885CYP2C19 280/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CYP1A2 24/4885CYP2D6 91/4885CYP2C19 71/4885

“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.