SCHEMBL2053886

SCHEMBL2053886

CC(=O)OCCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CC4(C)C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
MAOB P27338 5/20 0.42
HTR1A P08908 6/20 0.41
HTR2A P28223 6/20 0.41
DRD3 P35462 4/20 0.41
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR7 P34969 1/20 0.41
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2014838 0.94 RARA (0.46) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2011986 0.92 RARA (0.47) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2013156 0.91 RARA (0.43) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2011640 0.88 HTR1A (0.39) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2012781 0.88 HTR1A (0.40) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2015929 0.86 PIM1 (0.38) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2014995 0.86 PIM1 (0.39) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2015316 0.86 HTR1A (0.45) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL12632565 0.85 RARA (0.41) HRH3MAOBHTR1AHTR2ADRD3
SCHEMBL2014656 0.85 HTR1A (0.45) HTR1AHTR2ADRD3HTR2CDRD2

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
CN-102666489-B Sphingosine kinase inhibitors MERCK PATENT GMBH 2014-07-23 CN 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
CN-102666489-A Sphingosine kinase inhibitors MERCK PATENT GMBH 2012-09-12 CN 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 HRH3 376/4885MAOB 1060/4885HTR1A 1489/4885

“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.