SCHEMBL757919

SCHEMBL757919

CN(C)C(=O)c1ccc2c(n1)CCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.38
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CRBN Q96SW2 1/20 0.32
OGA O60502 1/20 0.32
CNR2 P34972 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL30540616 0.80 PIM1 (0.38) MAPTADRA1ADRD2DRD4
SCHEMBL287974 0.78 MAPK1 (0.39) MAPTCRBN
SCHEMBL4209564 0.77 HTR2C (0.37) KDM4AALDH1A1
SCHEMBL20571533 0.73 MAPT (0.40) ALDH1A1MAPTOGA
SCHEMBL19864574 0.71 KDM4E (0.47) MAPTOGA
SCHEMBL32660912 0.71 F10 (0.36) KDM4AALDH1A1CNR2
SCHEMBL20571711 0.70 GAA (0.39) ALDH1A1MAPTCRBNOGA
SCHEMBL13400071 0.69 CCR1 (0.34) ALDH1A1DRD2DRD4
SCHEMBL22050066 0.67 TP53 (0.39) ALDH1A1MAPTOGA
SCHEMBL20571845 0.67 P2RX7 (0.43) ALDH1A1MAPTOGA

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-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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 (2 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 KDM4A 4259/4885ALDH1A1 1763/4885MAPT 4026/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 KDM4A 4302/4885ALDH1A1 1516/4885MAPT 3590/4885

“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.