SCHEMBL2015195

SCHEMBL2015195

CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
GPR119 Q8TDV5 4/20 0.46
MAP4K4 O95819 1/20 0.45
LRRK2 Q5S007 1/20 0.44
ACHE P22303 1/20 0.43
EIF2AK4 Q9P2K8 2/20 0.42
ROCK2 O75116 1/20 0.42
WNT3A P56704 2/20 0.42
RET P07949 1/20 0.42
DYRK2 Q92630 1/20 0.41
CFTR P13569 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
PIK3CA P42336 1/20 0.40
PRMT5 O14744 1/20 0.40

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
SCHEMBL12804909 0.85 PIK3CA (0.48) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL2015994 0.84 RARA (0.50) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL2015814 0.83 ACHE (0.52) CKS1BSKP1SKP2GPR119ACHE
SCHEMBL2014735 0.83 WNT3A (0.46) CKS1BSKP1SKP2GPR119LRRK2
SCHEMBL12805065 0.83 CKS1B (0.50) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL8515152 0.82 GPR119 (0.48) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL12937460 0.82 NPC1 (0.47) CKS1BSKP1SKP2GPR119PIK3CA
SCHEMBL2015241 0.82 CKS1B (0.49) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL8512735 0.82 GPR119 (0.48) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL12804321 0.81 CKS1B (0.51) CKS1BSKP1SKP2GPR119MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 EP disclosed
EP-2513057-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 CKS1B 495/4885SKP1 12/4885SKP2 511/4885

“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.