SCHEMBL2016394

SCHEMBL2016394

CC1(C)CCC(C)(C)c2cc(-c3nc(N4CCN(CCCCCO)CC4)ccc3OCCO)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARG P13631 5/20 0.45
RARB P10826 4/20 0.45
RARA P10276 3/20 0.45
LRRK2 Q5S007 3/20 0.37
TLR7 Q9NYK1 1/20 0.37
HTR1A P08908 3/20 0.35
HTR7 P34969 3/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 2/20 0.34
DRD2 P14416 1/20 0.34
PDE5A O76074 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL12632960 0.96 RARA (0.43) RARGRARBRARALRRK2TLR7
SCHEMBL2015010 0.95 RARG (0.43) RARGRARBRARALRRK2TLR7
SCHEMBL12632931 0.93 RARG (0.42) RARGRARBRARALRRK2TLR7
SCHEMBL2012573 0.92 RARA (0.40) RARGRARBRARALRRK2HTR1A
SCHEMBL12959455 0.91 RARG (0.40) RARGRARBRARALRRK2DRD2
SCHEMBL2015583 0.89 HTR1A (0.44) RARGRARBRARAHTR1AHTR7
SCHEMBL12805041 0.87 KCNH2 (0.36) RARGRARBRARALRRK2HTR1A
SCHEMBL12805138 0.86 RARA (0.36) RARGRARBRARALRRK2HTR1A
SCHEMBL12968935 0.85 RARA (0.39) RARGRARBRARAHTR1AMEN1
SCHEMBL2053466 0.84 RARG (0.43) RARGRARBRARA

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 RARG 4187/4885RARB 4194/4885RARA 4373/4885

“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.