SCHEMBL2224469

SCHEMBL2224469

CC1(C)CCC(C)(C)c2cc(-c3noc(N4CCNCC4)n3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
RARB P10826 6/20 0.42
RARA P10276 6/20 0.42
RARG P13631 5/20 0.42
RXRA P19793 1/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL2223034 0.79 NR1H4 (0.46) RARBRARARARGRXRAMAPT
SCHEMBL12937081 0.79 NR1H4 (0.45) RARBRARARARGRXRAMAPT
SCHEMBL2227221 0.78 ABCB1 (0.46) ALOX5APRARBRARARARGRXRA
SCHEMBL12937468 0.77 MAPT (0.52) RARBRARARARGRXRAMAPT
SCHEMBL17115025 0.77 ADRB1 (0.47) MAPTGAANPC1LMNAHTT
SCHEMBL30506255 0.77 MAPT (0.67) MAPTGAATHRBNPC1HTT
SCHEMBL20116597 0.77 MAPT (0.67) MAPTGAATHRBNPC1HTT
SCHEMBL2223890 0.76 NR1H4 (0.61) RARBRARARARGRXRAABCB1
SCHEMBL8515571 0.76 CYP1A2 (0.47) RARBRARARARGMEN1KMT2A
SCHEMBL2223017 0.76 RARB (0.39) RARBRARARARGRXRAGAA

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 ALOX5AP 3638/4885RARB 4278/4885RARA 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.