SCHEMBL12633854

SCHEMBL12633854

CC1(C)CCC(C)(C)c2cc(-c3cncc(N4CCN(CCCCCO)CC4)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.39
RARG P13631 5/20 0.39
RARA P10276 4/20 0.39
KCNH2 Q12809 4/20 0.37
CYP11B2 P19099 1/20 0.37
RXRA P19793 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CHEK1 O14757 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL2012784 0.87 KCNH2 (0.49) RARBRARGRARAKCNH2DRD2
SCHEMBL2037348 0.86 KCNH2 (0.47) RARBRARGRARAKCNH2DRD2
SCHEMBL12633852 0.84 RARA (0.39) RARBRARGRARAKCNH2HRH3
SCHEMBL2049682 0.82 HRH4 (0.41) RARBRARGRARAKCNH2HRH3
SCHEMBL2014118 0.80 LRRK2 (0.42) RARBRARGRARAKCNH2HRH3
SCHEMBL12632929 0.78 RARA (0.46) RARBRARGRARAKCNH2DRD2
SCHEMBL12515947 0.78 HRH3 (0.43) RARBRARGRARAKCNH2RXRA
SCHEMBL12959460 0.78 RARA (0.45) RARBRARGRARADRD2DRD4
SCHEMBL2223781 0.78 ABCB1 (0.41) RARBRARGRARARXRADRD2
SCHEMBL2014962 0.78 RARA (0.45) RARBRARGRARADRD2DRD4

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 9 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
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

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 RARB 4194/4885RARG 4187/4885RARA 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.