SCHEMBL461585

SCHEMBL461585

CC(C)(C)OC(=O)N1CCN(c2cccc(N3CCN(C(=O)O)CC3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.60
SKP1 P63208 2/20 0.60
SKP2 Q13309 2/20 0.60
MAP4K4 O95819 1/20 0.55
GPR119 Q8TDV5 4/20 0.53
ACHE P22303 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
GBA1 P04062 2/20 0.47
PTPN11 Q06124 1/20 0.47
PRMT5 O14744 1/20 0.47
KIF18A Q8NI77 1/20 0.46
POLB P06746 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
KIT P10721 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46

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
SCHEMBL461584 0.94 CKS1B (0.62) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL4295070 0.87 CKS1B (0.61) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL29664252 0.86 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL4949224 0.86 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL4524210 0.86 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL15047026 0.85 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL22391574 0.85 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL29574323 0.85 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL12633201 0.85 CKS1B (0.59) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL29161592 0.85 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4GPR119

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
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 CKS1B 487/4885SKP1 914/4885SKP2 1837/4885

“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.