SCHEMBL2014630

SCHEMBL2014630

CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCNCC4)n3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.51
RARB P10826 1/20 0.51
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
KARS1 Q15046 4/20 0.45
PRKCA P17252 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
PIM1 P11309 11/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
PIM3 Q86V86 7/20 0.41
PIM2 Q9P1W9 7/20 0.41
ASIC3 Q9UHC3 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
SCHEMBL2013665 0.95 IRAK4 (0.49) RARARARBHTR3EHTR3BALDH1A1
SCHEMBL2039478 0.93 HTR3E (0.46) RARARARBHTR3EHTR3BALDH1A1
SCHEMBL8515452 0.91 RARA (0.44) RARARARBHTR3EHTR3BALDH1A1
SCHEMBL12633191 0.88 ASIC3 (0.44) RARARARBHTR3EHTR3BALDH1A1
SCHEMBL2016800 0.88 PIM1 (0.45) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL12959611 0.87 RARA (0.53) RARARARB
SCHEMBL12633241 0.87 RARA (0.53) RARARARB
SCHEMBL2014970 0.87 RARA (0.44) RARARARBKARS1PRKCAPRKCQ
SCHEMBL12632544 0.86 ASIC3 (0.45) RARARARBHTR3EHTR3BALDH1A1
SCHEMBL8510102 0.86 PIM1 (0.46) RARARARBALDH1A1PIM1PIM3

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 13 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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO 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
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 RARA 4373/4885RARB 4194/4885HTR3E 1908/4885

“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.