SCHEMBL2016497

SCHEMBL2016497

CC1(C)CCC(C)(C)c2cc(-c3nccc(N4CC[C@H](N)C4)n3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.48
HRH3 Q9Y5N1 4/20 0.48
KARS1 Q15046 1/20 0.41
LRRK2 Q5S007 2/20 0.41
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
SYK P43405 1/20 0.40
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
DKK1 O94907 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
SCHEMBL2013973 1.00 HRH4 (0.48) HRH4HRH3KARS1LRRK2PIM1
SCHEMBL2013976 1.00 HRH4 (0.48) HRH4HRH3KARS1LRRK2PIM1
SCHEMBL2049616 0.94 HRH3 (0.49) HRH4HRH3KARS1IRAK1IRAK4
Hydrochloric Acid SCHEMBL8514877 0.93 HRH3 (0.48) HRH4HRH3KARS1IRAK1IRAK4
SCHEMBL2012214 0.81 DKK1 (0.57) HRH4HRH3KARS1LRRK2PIM1
SCHEMBL2012211 0.81 DKK1 (0.57) HRH4HRH3KARS1LRRK2PIM1
SCHEMBL8515571 0.81 CYP1A2 (0.47) HRH4HRH3
Hydrochloric Acid SCHEMBL8514610 0.80 CYP1A2 (0.46) HRH4HRH3
SCHEMBL8515197 0.79 RARB (0.42)
SCHEMBL8514993 0.79 KARS1 (0.47) HRH4HRH3KARS1LRRK2PIM1

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 HRH4 419/4885HRH3 376/4885KARS1 1508/4885

“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.