SCHEMBL5066879

SCHEMBL5066879

CN(CCN1CC=C(c2cccc(N)c2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
PPARG P37231 6/20 0.42
PPARA Q07869 6/20 0.42
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 6/20 0.39
DRD4 P21917 4/20 0.39
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4563258 0.85 SIGMAR1 (0.46) DRD2PPARGPPARASIGMAR1KDM4E
SCHEMBL3988457 0.76 PDK4 (0.56)
SCHEMBL14012682 0.75 HRH3 (0.46) DRD2DRD3SIGMAR1HTR7
SCHEMBL5821626 0.75 CCNT1 (0.42) SIGMAR1KDM4EMEN1MAPTKMT2A
SCHEMBL11827362 0.73 DRD2 (0.59) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL5821411 0.72 CCNT1 (0.45)
SCHEMBL5950359 0.72 HTR7 (0.37) PPARGPPARASIGMAR1KDM4EHTR7
SCHEMBL28752853 0.71 DRD2 (0.37) DRD2DRD3KDM4EMEN1MAPT
SCHEMBL14347034 0.71 DRD2 (0.45) DRD2DRD3PPARGPPARASIGMAR1
SCHEMBL3919915 0.70 GBA1 (0.41)

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 2 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-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US 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 DRD2 3737/4885DRD3 3359/4885PPARG 4591/4885

“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.