SCHEMBL2014735

SCHEMBL2014735

CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PDK2 Q15119 1/20 0.46
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
ALK Q9UM73 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
ACHE P22303 1/20 0.43
ADORA2A P29274 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
PDE4D Q08499 1/20 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
SCHEMBL8511358 0.89 CYP11B2 (0.46) WNT3ALRRK2PIK3CAALKGPR119
SCHEMBL2015814 0.86 ACHE (0.52) MAPTPIK3CAGPR119ACHECKS1B
SCHEMBL2017261 0.85 GPR119 (0.49) MAPTALDH1A1LMNAPDK2SMN1; SMN2
SCHEMBL8515152 0.85 GPR119 (0.48) LRRK2GPR119CKS1BSKP1SKP2
SCHEMBL8515292 0.84 MAPT (0.46) WNT3AMAPTALDH1A1LMNAPDK2
SCHEMBL2015195 0.83 CKS1B (0.46) WNT3ALRRK2PIK3CAGPR119ACHE
SCHEMBL3268748 0.83 CKS1B (0.56) MAPTALDH1A1LMNAPDK2PIK3CA
SCHEMBL2014551 0.82 AKT1 (0.46) WNT3AMAPTALDH1A1LMNAPDK2
SCHEMBL2015994 0.81 RARA (0.50) MAPTALDH1A1LMNAPDK2LRRK2
SCHEMBL2222354 0.81 PKM (0.46) MAPTALDH1A1LMNAPDK2GPR119

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 11 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-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-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 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 WNT3A 1724/4885MAPT 327/4885ALDH1A1 4547/4885

“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.