SCHEMBL12959638

SCHEMBL12959638

CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCO)CC4)n3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.49
RARA P10276 2/20 0.49
PIM1 P11309 3/20 0.45
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
LRRK2 Q5S007 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
RARG P13631 3/20 0.39
CNR1 P21554 1/20 0.39
SRC P12931 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
SCHEMBL31060378 0.94 RARB (0.47) RARBRARAPIM1HTR1ADRD2
SCHEMBL8513887 0.94 RARB (0.47) RARBRARAPIM1HTR1ADRD2
SCHEMBL12633167 0.93 RARA (0.47) RARBRARAPIM1HTR1ADRD2
SCHEMBL2013393 0.92 RARA (0.46) RARBRARAPIM1HTR1ADRD2
SCHEMBL2013985 0.92 RARA (0.46) RARBRARAPIM1HTR1ADRD2
SCHEMBL12632929 0.92 RARA (0.46) RARBRARAPIM1HTR1ADRD2
SCHEMBL12633173 0.91 RARB (0.45) RARBRARAPIM1HTR1ADRD2
SCHEMBL2012653 0.90 RARB (0.43) RARBRARAPIM1HTR1ADRD2
SCHEMBL12632972 0.90 RARB (0.43) RARBRARAPIM1HTR1ADRD2
SCHEMBL2043051 0.90 DPP4 (0.46) RARBRARAPIM1HTR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4373/4885PIM1 653/4885

“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.