SCHEMBL2224628

SCHEMBL2224628

CC1(C)CCC(C)(C)c2cc(-c3nc(C4CCN(CCCCO)CC4)co3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
USP7 Q93009 1/20 0.37
RARA P10276 7/20 0.36
RARB P10826 6/20 0.36
RARG P13631 5/20 0.36
RXRA P19793 2/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAOB P27338 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
BRD4 O60885 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL2226041 0.99 NR1H4 (0.41) NR1H4USP7RARARARBRARG
SCHEMBL12515945 0.93 NR1H4 (0.41) NR1H4USP7TLR9TLR8TLR7
SCHEMBL12515939 0.88 USP7 (0.35) USP7RARARARBRARGRXRA
SCHEMBL12515942 0.84 USP7 (0.35) NR1H4USP7TLR9TLR8TLR7
SCHEMBL12515941 0.83 USP7 (0.34) USP7RARARARBRARGRXRA
SCHEMBL12937098 0.83 RARB (0.38) NR1H4RARARARBRARGRXRA
SCHEMBL2223247 0.82 NR1H4 (0.44) NR1H4TLR9TLR8TLR7HRH3
SCHEMBL2225012 0.82 NR1H4 (0.40) NR1H4USP7RARARARBRARG
SCHEMBL12937099 0.82 RARB (0.38) NR1H4RARARARBRARGRXRA
SCHEMBL2224053 0.82 NR1H4 (0.39) NR1H4USP7RARARARBRARG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 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-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 NR1H4 1766/4885USP7 3223/4885RARA 4508/4885

“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.