SCHEMBL12632558

SCHEMBL12632558

COC(=O)CNC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.47
RARA P10276 2/20 0.47
CNR1 P21554 11/20 0.42
RARG P13631 3/20 0.39
ADORA2A P29274 1/20 0.37
TSPO P30536 1/20 0.37
ADORA1 P30542 1/20 0.37
GPR183 P32249 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GPR35 Q9HC97 1/20 0.37
VCP P55072 1/20 0.37
ENPP2 Q13822 1/20 0.37
CCNT1 O60563 1/20 0.36
FAAH O00519 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL2014163 0.91 RARB (0.51) RARBRARACNR1RARGCCNT1
SCHEMBL12804442 0.85 RARB (0.49) RARBRARACNR1RARGADORA2A
SCHEMBL12632966 0.85 RARB (0.45) RARBRARACNR1RARGCCNT1
SCHEMBL12632562 0.84 RARB (0.48) RARBRARACNR1RARG
SCHEMBL2053040 0.83 RARB (0.43) RARBRARACNR1RARGVCP
SCHEMBL2015227 0.83 RARB (0.47) RARBRARACNR1RARG
SCHEMBL12804988 0.83 RARB (0.45) RARBRARACNR1RARGVCP
SCHEMBL12632954 0.83 RARB (0.44) RARBRARACNR1RARGADORA2A
SCHEMBL2013340 0.82 RARB (0.43) RARBRARACNR1RARGVCP
Dimethylamine SCHEMBL15226184 0.81 RARB (0.46) RARBRARACNR1RARG

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
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 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 RARB 4194/4885RARA 4373/4885CNR1 469/4885

“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.