SCHEMBL3564931

SCHEMBL3564931

Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.54
SKP1 P63208 2/20 0.54
SKP2 Q13309 2/20 0.54
GPR119 Q8TDV5 2/20 0.52
ALDH1A1 P00352 2/20 0.50
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
ACHE P22303 1/20 0.47
THRB P10828 1/20 0.46
GBA1 P04062 2/20 0.45
PTPN11 Q06124 1/20 0.45
NAMPT P43490 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
SCHEMBL3568463 0.86 GPR119 (0.50) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL13117125 0.85 GPR119 (0.49) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL3560832 0.85 GPR119 (0.49) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL3562191 0.84 GPR119 (0.48) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL1458887 0.79 GPR119 (0.76) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL2708676 0.79 GPR119 (0.52) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL2889077 0.77 GPR119 (0.52) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL15579067 0.76 HTT (0.63) CKS1BSKP1SKP2GPR119JAK2
SCHEMBL13117128 0.76 ACHE (0.49) CKS1BSKP1SKP2GPR119ALDH1A1
SCHEMBL26986642 0.75 ALDH1A1 (0.67) CKS1BSKP1SKP2GPR119ALDH1A1

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-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS CKS1B 1110/4885SKP1 926/4885SKP2 556/4885

“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.