SCHEMBL5069648

SCHEMBL5069648

CNCCN1CCC(c2ccc(NC(=O)c3ccccc3OC)c(N)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.50
CCR5 P51681 3/20 0.49
CARM1 Q86X55 5/20 0.49
TLR7 Q9NYK1 3/20 0.49
PRMT6 Q96LA8 2/20 0.47
ALDH1A1 P00352 1/20 0.46
BRPF1 P55201 2/20 0.45
BRD4 O60885 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HDAC1 Q13547 3/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
TLR4 O00206 1/20 0.44
TLR3 O15455 1/20 0.44
TLR8 Q9NR97 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL5067456 0.90 TLR9 (0.53) TLR9CCR5CARM1TLR7PRMT6
SCHEMBL5066953 0.87 TLR9 (0.49) TLR9CCR5CARM1TLR7PRMT6
SCHEMBL5066966 0.85 CARM1 (0.55) TLR9CARM1TLR7PRMT6ALDH1A1
SCHEMBL4555575 0.84 KCNK3 (0.55) TLR9CARM1TLR7PRMT6POLB
SCHEMBL4563395 0.78 DRD3 (0.46) ALDH1A1BRPF1BRD4DRD2DRD4
SCHEMBL14012686 0.73 MAPT (0.45) CCR5ALDH1A1BRPF1BRD4POLB
SCHEMBL5070546 0.73 CARM1 (0.57) TLR9CARM1TLR7PRMT6ALDH1A1
SCHEMBL21701459 0.69 RXFP1 (0.54) ALDH1A1BRPF1BRD4POLBGFER
SCHEMBL758414 0.68 MAPT (0.62) ALDH1A1BRPF1BRD4
SCHEMBL30560630 0.68 ALDH1A1 (0.69) ALDH1A1BRPF1DRD2DRD4POLB

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 7 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
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

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 TLR9 4495/4885CCR5 3016/4885CARM1 1/4885

“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.