SCHEMBL3489481

SCHEMBL3489481

O=C(NC1(C(=O)NCC(=O)c2ccccc2)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
KMT2A Q03164 3/20 0.41
OPRD1 P41143 1/20 0.39
EPHX2 P34913 1/20 0.38
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
CASP3 P42574 2/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35

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
SCHEMBL1404235 0.85 EPHX2 (0.46) DPP8DPP9KMT2AOPRD1EPHX2
SCHEMBL3491455 0.83 KMT2A (0.40) DPP8DPP9KMT2AOPRD1EPHX2
SCHEMBL4438430 0.83 KMT2A (0.46) DPP8DPP9KMT2AOPRD1EPHX2
SCHEMBL3491022 0.82 DPP8 (0.47) DPP8DPP9KMT2AOPRD1EPHX2
SCHEMBL3088787 0.80 SMN1; SMN2 (0.46) DPP8DPP9KMT2AOPRD1EPHX2
SCHEMBL3489478 0.79 OPRD1 (0.35) DPP8DPP9KMT2AOPRD1FABP7
SCHEMBL1411127 0.79 KMT2A (0.46) DPP8DPP9KMT2AOPRD1EPHX2
SCHEMBL6111714 0.79 EPHX2 (0.46) DPP8DPP9KMT2AOPRD1EPHX2
SCHEMBL30202258 0.77 BACE1 (0.48) DPP8DPP9KMT2AEPHX2
SCHEMBL1404239 0.77 BACE1 (0.48) DPP8DPP9KMT2AEPHX2

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 5 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
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 4666/4885KMT2A 1414/4885

“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.