SCHEMBL2011986

SCHEMBL2011986

CC(=O)OCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
HRH3 Q9Y5N1 5/20 0.42
MAOB P27338 4/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
CNR1 P21554 2/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
RARG P13631 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 0.97 RARA (0.46) RARARARBHRH3MAOBHTR1A
SCHEMBL2013156 0.94 RARA (0.43) RARARARBHRH3MAOBHTR1A
SCHEMBL2053886 0.92 HRH3 (0.43) RARARARBHRH3MAOBHTR1A
SCHEMBL2011640 0.89 HTR1A (0.39) RARARARBHRH3MAOBHTR1A
SCHEMBL2012781 0.88 HTR1A (0.40) RARARARBHRH3MAOBHTR1A
SCHEMBL12632565 0.88 RARA (0.41) RARARARBHRH3MAOBHTR1A
SCHEMBL2015929 0.87 PIM1 (0.38) RARARARBHRH3MAOBHTR1A
SCHEMBL12633279 0.87 RARA (0.43) RARARARBHRH3MAOBHTR1A
SCHEMBL2014995 0.87 PIM1 (0.39) HRH3MAOBHTR1AHTR2ADRD2
SCHEMBL2017424 0.86 RARB (0.52) RARARARBHTR1AHTR2ADRD2

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 5 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
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
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 RARA 4373/4885RARB 4194/4885HRH3 376/4885

“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.