SCHEMBL6742833

SCHEMBL6742833

CC(C)(C)CCc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
RIPK1 Q13546 2/20 0.43
DAO P14920 1/20 0.42
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
PARK7 Q99497 1/20 0.37
KCNH2 Q12809 1/20 0.37
GSK3B P49841 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL25530533 0.81 CYP1A2 (0.41) IDO1DAO
SCHEMBL15736214 0.80 IDO1 (0.43) IDO1AGXTRIPK1DAOHTR2A
SCHEMBL7700904 0.80 IDO1 (0.58) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL24250763 0.79 S1PR1 (0.38) RIPK1HTR2AHTR2C
SCHEMBL26351699 0.79 S1PR1 (0.38) HTR2AHTR2C
SCHEMBL1704764 0.79 IDO1 (0.48) IDO1AGXTRIPK1DAOHTR2A
SCHEMBL23682593 0.78 KCNH2 (0.40) HTR2AKDM4EKCNH2
SCHEMBL18014688 0.78 HTR1D (0.36) RIPK1DAO
SCHEMBL9074378 0.78 IDO1 (0.41) IDO1AGXTRIPK1DAOHTR2A
SCHEMBL26540975 0.77 PARK7 (0.36) IDO1RIPK1HTR2AHTR2CPARK7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US 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 (6 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 IDO1 2215/4885AGXT 2727/4885RIPK1 1420/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 IDO1 2639/4885AGXT 3106/4885RIPK1 158/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 IDO1 2215/4885AGXT 2727/4885RIPK1 1420/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 IDO1 439/4885AGXT 2606/4885RIPK1 76/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 IDO1 2535/4885AGXT 3112/4885RIPK1 173/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 IDO1 2215/4885AGXT 2727/4885RIPK1 1420/4885

“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.