SCHEMBL3489796

SCHEMBL3489796

CN1CCN(c2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CCN(C(=O)O)CC3)c(N)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
CSF1R P07333 7/20 0.38
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
PTK2B Q14289 1/20 0.36
HTR6 P50406 2/20 0.35
SIRT6 Q8N6T7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC2 Q92769 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL3489648 0.93 HDAC3 (0.42) HDAC3HDAC8CSF1RMAPTHTT
SCHEMBL14162370 0.88 HDAC3 (0.43) HDAC3HDAC8CSF1RGAAMAPT
SCHEMBL3489801 0.77 GAA (0.39) GAAMAPTHTR6NPSR1MEN1
SCHEMBL13403081 0.74 HDAC1 (0.45) HDAC2GHSR
SCHEMBL12466602 0.73 MAPT (0.51) HDAC3HDAC8GAAMAPTKDM4E
SCHEMBL978356 0.73 S100B (0.46) HDAC3HDAC8CSF1RGAAMAPT
SCHEMBL3504979 0.70 HDAC3 (0.60) HDAC3HDAC8CSF1RGAAMAPT
SCHEMBL3489650 0.70 MAPT (0.43) GAAMAPTHTTNPSR1MEN1
SCHEMBL3938077 0.69 HSD11B1 (0.33) MAPK1MEN1KMT2AGHSR
SCHEMBL1003478 0.69 EPHX2 (0.34) MAPK1MEN1KMT2AGHSR

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
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A HDAC3 860/4885HDAC8 1546/4885CSF1R 1947/4885

“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.