SCHEMBL3231846

SCHEMBL3231846

CC(C)(C)OC(=O)N1CCN(c2cccc(OCCN3CCOCC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 5/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 1/20 0.43
ACHE P22303 2/20 0.41
EPHX2 P34913 1/20 0.41
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL3111974 0.83 CKS1B (0.54) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL3332134 0.81 GPR119 (0.58) TLR9TLR7MEN1KMT2AGPR119
SCHEMBL5368903 0.80 POLB (0.52) TLR9TLR7USP2SMN1; SMN2EPHX2
SCHEMBL3111246 0.79 TLR9 (0.45) MAP4K4CKS1BSKP1SKP2TLR9
SCHEMBL4531400 0.79 HRH3 (0.56) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL24265269 0.79 GPR119 (0.56) MAP4K4CKS1BSKP1SKP2TLR9
SCHEMBL29574249 0.79 GPR119 (0.56) MAP4K4CKS1BSKP1SKP2TLR9
SCHEMBL3338288 0.79 GPR119 (0.53) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL461584 0.78 CKS1B (0.62) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL23839560 0.78 MAP4K4 (0.55) MAP4K4CKS1BSKP1SKP2GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 MAP4K4 2647/4885CKS1B 3105/4885SKP1 658/4885

“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.