SCHEMBL5916462

SCHEMBL5916462

CC(C)(C)OC(=O)N1CCN(c2ccc(C#C[Si](C)(C)C)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.58
▸ GPR119 Q8TDV5 4/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ CKS1B P61024 2/20 0.50
▸ SKP1 P63208 2/20 0.50
▸ SKP2 Q13309 2/20 0.50
▸ DDB1 Q16531 1/20 0.49
▸ CRBN Q96SW2 1/20 0.49
▸ RET P07949 7/20 0.48
▸ PANK3 Q9H999 3/20 0.47
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5916431 0.85 ADK (0.56) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL30546362 0.85 PANK3 (0.63) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL31286938 0.85 GPR119 (0.56) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL3554489 0.85 PANK3 (0.63) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL5916500 0.84 GRM5 (0.57) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL30906236 0.82 ADK (0.54) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL30906197 0.81 ADK (0.56) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL31464973 0.81 CNR2 (0.59) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL21522388 0.81 CNR2 (0.59) ADKGPR119MAP4K4CKS1BSKP1
SCHEMBL28981148 0.80 CKS1B (0.46) ADKGPR119MAP4K4CKS1BSKP1

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-7153857-B2 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-12-26 — — US disclosed
US-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-10-12 — — US disclosed
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-11-04 — — US disclosed
EP-1417201-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 — — EP disclosed
WO-2003014111-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 — — 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 (2 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-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 ADK 4207/4885GPR119 776/4885MAP4K4 1795/4885
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 ADK 4538/4885GPR119 1049/4885MAP4K4 1813/4885

“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.

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