SCHEMBL3489452

SCHEMBL3489452

O=C(NC1(c2ncc(-c3ccccc3)o2)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
MDM4 O15151 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.37
BACE1 P56817 1/20 0.37
KDM1A O60341 1/20 0.36
EPHX2 P34913 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
MDM2 Q00987 4/20 0.34
OPRD1 P41143 1/20 0.34
SLC17A5 Q9NRA2 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
SCHEMBL4630952 0.82 MDM2 (0.37) MDM4TP53KMT2AHDAC3HDAC1
SCHEMBL3489451 0.81 KDM1A (0.34) MDM4TP53KMT2ABACE1KDM1A
SCHEMBL1404235 0.76 EPHX2 (0.46) DPP8DPP9MDM4TP53KMT2A
SCHEMBL4438430 0.74 KMT2A (0.46) DPP8DPP9MDM4TP53KMT2A
SCHEMBL3491022 0.73 DPP8 (0.47) DPP8DPP9MDM4TP53KMT2A
SCHEMBL3088787 0.71 SMN1; SMN2 (0.46) DPP8DPP9KMT2AKDM1AEPHX2
SCHEMBL16004761 0.71 POLB (0.46) DPP8DPP9KMT2AEPHX2FABP7
SCHEMBL13327274 0.70 POLB (0.52) KMT2AEPHX2FABP7FABP5
SCHEMBL22397770 0.70 POLB (0.52) KMT2AEPHX2FABP7FABP5
SCHEMBL6111714 0.70 EPHX2 (0.46) DPP8DPP9MDM4TP53KMT2A

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 4 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
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 DPP8 4584/4885DPP9 4666/4885MDM4 4389/4885

“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.