SCHEMBL430404

SCHEMBL430404

Cc1ccc2c(c1)N(C)CC(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
F2 P00734 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX12 P18054 1/20 0.38
NISCH Q9Y2I1 3/20 0.37
MAPT P10636 5/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MMP12 P39900 1/20 0.33
ATM Q13315 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PLK1 P53350 1/20 0.31

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
SCHEMBL24359289 0.81 NR3C2 (0.40) ALDH1A1F2NISCH
SCHEMBL448820 0.81 MAPT (0.38) ALDH1A1KDM4EGAAHTTF2
SCHEMBL17175213 0.78 NISCH (0.52) ALDH1A1KDM4EGAANISCHMAPT
SCHEMBL13091583 0.78 NR3C2 (0.37) ALDH1A1KDM4EGAAHTTF2
SCHEMBL427069 0.78 NOTUM (0.43) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL91290 0.76 TSHR (0.39) ALDH1A1KDM4EGAAHTTF2
SCHEMBL27130393 0.74 HTT (0.34) ALDH1A1KDM4EGAAHTTF2
SCHEMBL5118907 0.72 NR3C2 (0.37) ALDH1A1KDM4EGAAHTTF2
SCHEMBL23416708 0.71 KDM4E (0.33) ALDH1A1KDM4EGAAHTTF2
SCHEMBL5986105 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHTTF2

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 15 patents. 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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
WO-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 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 (3 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1265/4885KDM4E 4075/4885GAA 3364/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885KDM4E 4112/4885GAA 3448/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885KDM4E 1013/4885GAA 999/4885

“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.