SCHEMBL4564141

SCHEMBL4564141

CC(C)(C)OC(=O)N1CCC(c2cccc(-n3nc(C(F)(F)F)cc3C(=O)O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.49
TP53 P04637 3/20 0.48
MAPT P10636 2/20 0.48
GPR119 Q8TDV5 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 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
SCHEMBL5069628 0.83 MAPT (0.45) TP53MAPTGPR119
SCHEMBL5064367 0.82 CARM1 (0.60) TP53
SCHEMBL18176192 0.81 GPR119 (0.53) TP53MAPTGPR119MEN1KMT2A
SCHEMBL5066894 0.76 STS (0.46) MAPTGPR119MEN1KMT2ASMN1; SMN2
SCHEMBL25319361 0.76 GPR119 (0.63) TP53MAPTGPR119
SCHEMBL29769962 0.75 KMO (0.55) TP53MAPTGPR119MEN1KMT2A
SCHEMBL226123 0.75 KMO (0.55) TP53MAPTGPR119MEN1KMT2A
SCHEMBL32661452 0.75 GPR119 (0.48) MAPTGPR119
SCHEMBL5066932 0.74 KLKB1 (0.56) KLKB1MEN1KMT2APOLBGRN
SCHEMBL21523778 0.74 TP53 (0.56) TP53MAPTGPR119SMN1; SMN2

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
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
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 KLKB1 4560/4885TP53 559/4885MAPT 71/4885

“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.