SCHEMBL4555575

SCHEMBL4555575

CNCCN1CCC(c2cccc(NC(=O)c3ccccc3OC)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.55
KCNK9 Q9NPC2 5/20 0.55
ACKR3 P25106 1/20 0.54
CARM1 Q86X55 4/20 0.52
PRMT6 Q96LA8 2/20 0.52
MCHR1 Q99705 1/20 0.51
MAPK1 P28482 1/20 0.51
TLR9 Q9NR96 3/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL5066966 0.89 CARM1 (0.55) CARM1PRMT6MAPK1TLR9KMT2A
SCHEMBL5067456 0.85 TLR9 (0.53) CARM1PRMT6TLR9TLR7MAPT
SCHEMBL5069648 0.84 TLR9 (0.50) CARM1PRMT6TLR9POLBTLR7
SCHEMBL5066953 0.82 TLR9 (0.49) CARM1PRMT6TLR9KMT2APOLB
SCHEMBL5067024 0.82 MCHR1 (0.48) KCNK3KCNK9ACKR3MCHR1MAPK1
SCHEMBL5070546 0.75 CARM1 (0.57) CARM1PRMT6TLR9TLR7
SCHEMBL17270196 0.74 ACKR3 (0.75) KCNK3KCNK9ACKR3MAPK1MAPT
SCHEMBL6109125 0.74 MCHR1 (0.68) MCHR1
SCHEMBL5661810 0.73 DRD2 (0.60) MCHR1
SCHEMBL5207832 0.71 HTR1F (0.67) KCNK3KCNK9ACKR3MAPK1KMT2A

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 8 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
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 KCNK3 3799/4885KCNK9 3883/4885ACKR3 3632/4885

“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.