SCHEMBL5066931

SCHEMBL5066931

CN(CCN1CCC(n2nc(C(F)(F)F)cc2C(=O)O)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.36
HTR2C P28335 3/20 0.36
SLC6A4 P31645 3/20 0.36
CCR5 P51681 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
F10 P00742 1/20 0.33
HTR2A P28223 4/20 0.32
PLD1 Q13393 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
HTR7 P34969 3/20 0.32
KCNH2 Q12809 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5070493 0.89 IRAK4 (0.35) IRAK4HTR2CSLC6A4CCR5TRPV4
SCHEMBL14012647 0.82 CARM1 (0.46) IRAK4
SCHEMBL5067650 0.81 EPHX2 (0.40) DRD2
SCHEMBL5064356 0.81 OPRM1 (0.39) IRAK4F10DRD4
SCHEMBL5067010 0.80 RXFP1 (0.40) KDM4EALDH1A1
SCHEMBL5064353 0.80 IRAK4 (0.41) IRAK4F10
SCHEMBL5066894 0.79 STS (0.46) KDM4E
SCHEMBL5066914 0.77 CARM1 (0.45) IRAK4
SCHEMBL5066912 0.77 CARM1 (0.45) IRAK4
SCHEMBL5067006 0.76 IRAK4 (0.37) IRAK4F10PLD1CACNA1GCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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 (1 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 IRAK4 4200/4885HTR2C 4181/4885SLC6A4 3247/4885

“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.