SCHEMBL4563395

SCHEMBL4563395

CNCCN1CC=C(c2ccc(NC(=O)c3ccccc3OC)c(N)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.46
HTR1A P08908 6/20 0.45
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
BRPF1 P55201 3/20 0.42
BRD4 O60885 2/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ABCB1 P08183 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNMA1 Q12791 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ABCC1 P33527 1/20 0.41

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
SCHEMBL14326393 0.88 DRD3 (0.44) DRD3HTR1ATP53GAABRPF1
SCHEMBL4564101 0.87 ABCB1 (0.45) DRD3HTR1AGAAALDH1A1ABCB1
SCHEMBL5069648 0.78 TLR9 (0.50) BRPF1BRD4ALDH1A1DRD2DRD4
SCHEMBL5067456 0.70 TLR9 (0.53) TP53GAABRPF1BRD4ALDH1A1
SCHEMBL21310763 0.68 PPARG (0.40) DRD3HTR1ASIGMAR1
SCHEMBL7298721 0.68 HTR1A (0.56) DRD3HTR1ATP53ALDH1A1SIGMAR1
SCHEMBL5066953 0.67 TLR9 (0.49) DRD3BRPF1BRD4ALDH1A1DRD2
SCHEMBL5066966 0.66 CARM1 (0.55) TP53ALDH1A1DRD2DRD4
SCHEMBL8346711 0.66 KCNMA1 (0.73) TP53GAABRPF1BRD4KCNMA1
SCHEMBL28108120 0.66 QDPR (0.51) GAAALDH1A1SIGMAR1

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-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-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP 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
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
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 DRD3 3359/4885HTR1A 3156/4885TP53 559/4885

“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.