SCHEMBL4564075

SCHEMBL4564075

CC(C)(C)OC(=O)N1CCC(Cn2nc(C(F)(F)F)cc2-c2ccco2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.49
TGFBR1 P36897 6/20 0.47
ADORA2A P29274 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
FAAH O00519 1/20 0.42
ADORA1 P30542 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL14012649 0.84 GPR119 (0.51) GPR119TGFBR1ADORA2ACYP1A2CYP2D6
SCHEMBL5070408 0.81 GPR119 (0.48) GPR119TGFBR1ADORA2ACYP1A2CYP2D6
SCHEMBL5070409 0.81 GPR119 (0.48) GPR119TGFBR1ADORA2ACYP1A2CYP2D6
SCHEMBL5069607 0.79 STS (0.46) GPR119TGFBR1FAAHPIK3CDPIK3R2
SCHEMBL5069628 0.78 MAPT (0.45) GPR119ADORA2AMAPT
SCHEMBL556594 0.73 GPR119 (0.51) GPR119TGFBR1ADORA2AMAPTABCB1
SCHEMBL5070468 0.71 CARM1 (0.49)
SCHEMBL13184352 0.71 KDM4E (0.47) CYP1A2MAPTCYP2C9ALOX15TSHR
SCHEMBL557797 0.69 GPR119 (0.51) GPR119TGFBR1ADORA2AMAPTABCB1
SCHEMBL21722971 0.69 GPR119 (0.46) GPR119TGFBR1MAPTFAAHKDM4E

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
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

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 GPR119 2613/4885TGFBR1 1888/4885ADORA2A 2458/4885

“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.