SCHEMBL2015227

SCHEMBL2015227

CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCC(=O)O)CC4)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.47
RARA P10276 3/20 0.47
RARG P13631 5/20 0.44
FFAR4 Q5NUL3 2/20 0.43
CNR1 P21554 6/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
KDM6B O15054 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
RXRA P19793 1/20 0.35
CYP26A1 O43174 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
TGM2 P21980 1/20 0.35
PIM2 Q9P1W9 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
Dimethylamine SCHEMBL15226184 0.98 RARB (0.46) RARBRARARARGFFAR4CNR1
SCHEMBL12632562 0.97 RARB (0.48) RARBRARARARGFFAR4CNR1
SCHEMBL12804442 0.94 RARB (0.49) RARBRARARARGFFAR4CNR1
SCHEMBL12804988 0.93 RARB (0.45) RARBRARARARGFFAR4CNR1
SCHEMBL12804986 0.91 RARB (0.43) RARBRARARARGFFAR4CNR1
SCHEMBL12805314 0.89 RARB (0.41) RARBRARARARGFFAR4CNR1
SCHEMBL2013340 0.89 RARB (0.43) RARBRARARARGCNR1CARM1
SCHEMBL2052066 0.88 RARB (0.42) RARBRARARARGCNR1CARM1
SCHEMBL12632930 0.88 RARB (0.42) RARBRARARARGCNR1CARM1
SCHEMBL2053040 0.88 RARB (0.43) RARBRARARARGCNR1CARM1

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-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

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 4194/4885RARA 4373/4885RARG 4187/4885

“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.