SCHEMBL3489648

SCHEMBL3489648

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NAMPT P43490 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC1 Q13547 1/20 0.40
PDK2 Q15119 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 1/20 0.38
CSF1R P07333 3/20 0.38
ALK Q9UM73 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
WNT3A P56704 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
SCHEMBL3489796 0.93 HDAC3 (0.42) HDAC3HDAC8HDAC2MAPTMEN1
SCHEMBL14162370 0.88 HDAC3 (0.43) HDAC3HDAC8MAPTCSF1RHTT
SCHEMBL13403081 0.82 HDAC1 (0.45) HDAC2HDAC1GPR119TSHR
SCHEMBL3489650 0.77 MAPT (0.43) NAMPTPDK2MAPTLMNAALDH1A1
SCHEMBL3489715 0.75 TSHR (0.44) HDAC8NAMPTHDAC1GPR119TSHR
SCHEMBL3489409 0.75 MEN1 (0.42) HDAC2HDAC1GPR119MEN1KMT2A
SCHEMBL12466602 0.73 MAPT (0.51) HDAC3HDAC8HDAC2HDAC1MAPT
SCHEMBL978356 0.73 S100B (0.46) HDAC3HDAC8HDAC1MAPTLMNA
SCHEMBL30565931 0.71 MAPT (0.62) NAMPTPDK2MAPTLMNAALDH1A1
SCHEMBL214944 0.71 MAPT (0.62) NAMPTPDK2MAPTLMNAALDH1A1

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 6 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
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
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
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 1546/4885NAMPT 3492/4885

“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.