SCHEMBL2274544

SCHEMBL2274544

COC1=CN(C(=O)OC(C)(C)C)CC=C1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NR1H2 P55055 2/20 0.36
ADORA1 P30542 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 3/20 0.32
GRM1 Q13255 2/20 0.32
PDK4 Q16654 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
BACE1 P56817 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL6356444 0.75 NR1H2 (0.36) KDM4ENR1H2ADORA1GRM5GRM1
SCHEMBL15390474 0.71 NR1H2 (0.39) KDM4EMAPTNR1H2ADORA1GRM5
SCHEMBL30674376 0.70 BCHE (0.44) NR1H2GRM5GRM1PDK4GPR119
SCHEMBL20690515 0.68 ALDH1A1 (0.40) KDM4EMAPTNR1H2ADORA1ALDH1A1
SCHEMBL5560321 0.68 PDK4 (0.37) KDM4EMAPTGRM5GRM1PDK4
SCHEMBL8120965 0.67 ESR2 (0.38) KDM4EMAPTNR1H2GRM5GRM1
SCHEMBL17267602 0.66 ESR2 (0.38) MAPTNR1H2ALDH1A1GRM5PDK4
SCHEMBL3505154 0.65 ESR2 (0.45) NR1H2ADORA1GPR119MEN1KMT2A
SCHEMBL965980 0.65 NR1H2 (0.36) KDM4EMAPTNR1H2GRM5GRM1
Hydrazine SCHEMBL29123108 0.65 GRM1 (0.35) KDM4EMAPTNR1H2ADORA1GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 KDM4E 3666/4885MAPT 582/4885NR1H2 149/4885

“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.