SCHEMBL4564154

SCHEMBL4564154

Cc1cc(C2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
DRD2 P14416 6/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 2/20 0.36
SLC18A3 Q16572 1/20 0.35
OPRM1 P35372 1/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM1A O60341 1/20 0.34
HTR4 Q13639 3/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CCR5 P51681 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL5805849 0.92 HRH3 (0.45) HRH3DRD2SLC18A3OPRM1SLC6A4
SCHEMBL5805764 0.88 HRH3 (0.39) HRH3DRD2DRD4DRD3SLC18A3
SCHEMBL14012694 0.86 HRH3 (0.47) HRH3DRD2SLC18A3OPRM1KDM1A
SCHEMBL5805777 0.85 SIGMAR1 (0.41) HRH3DRD2CCR5
SCHEMBL14012682 0.84 HRH3 (0.46) HRH3DRD2DRD3SLC18A3OPRM1
SCHEMBL5805753 0.81 SIGMAR1 (0.39) HRH3HTR4
SCHEMBL19850120 0.79 TLR9 (0.46) TLR9TLR7
SCHEMBL29555861 0.79 TLR9 (0.46) TLR9TLR7
SCHEMBL19850077 0.78 TLR7 (0.42) HRH3TLR9TLR7
SCHEMBL29555960 0.78 TLR7 (0.42) HRH3TLR9TLR7

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 HRH3 640/4885DRD2 3737/4885DRD4 3920/4885

“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.