SCHEMBL12633005

SCHEMBL12633005

CC(C)(C)OC(=O)N1CCC(N2CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
GPR119 Q8TDV5 10/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
PARP1 P09874 1/20 0.39
KIF18A Q8NI77 1/20 0.39
GNRHR P30968 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
SCHEMBL2015994 0.91 RARA (0.50) RARARARBGPR119CKS1BSKP1
SCHEMBL12804321 0.88 CKS1B (0.51) RARARARBGPR119CKS1BSKP1
SCHEMBL12937490 0.85 USP30 (0.48) GPR119OPRM1OPRD1OGFRL1HTT
SCHEMBL2016042 0.85 CKS1B (0.48) RARARARBGPR119CKS1BSKP1
SCHEMBL8515192 0.83 CYP11B2 (0.50) RARARARBGPR119CKS1BSKP1
SCHEMBL12632984 0.83 RARA (0.52) RARARARBGPR119HTTGNRHR
SCHEMBL2016854 0.82 CKS1B (0.45) RARARARBGPR119CKS1BSKP1
SCHEMBL12633907 0.82 CKS1B (0.46) RARARARBGPR119CKS1BSKP1
SCHEMBL2014970 0.81 RARA (0.44) RARARARBHRH3
SCHEMBL12632620 0.81 CKS1B (0.44) RARARARBOPRM1OPRD1OGFRL1

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 6 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
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 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
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 4194/4885GPR119 291/4885

“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.