SCHEMBL4009937

SCHEMBL4009937

CC(C)(C)OC(=O)N1CC(CO)C(c2ccccc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.49
RORC P51449 1/20 0.47
NR1H2 P55055 1/20 0.44
NAMPT P43490 1/20 0.43
TACR1 P25103 2/20 0.42
GPR119 Q8TDV5 3/20 0.41
USP30 Q70CQ3 2/20 0.40
BRD4 O60885 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL14498549 1.00 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL14495534 1.00 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL13809449 0.88 PDE4B (0.51) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL14495293 0.88 PDE4B (0.51) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL4008541 0.88 PDE4B (0.51) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL17865507 0.86 PDE4B (0.50) PDE4BRORCNR1H2GPR119USP30
SCHEMBL4007689 0.86 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL14498553 0.86 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL148144 0.83 RORC (0.49) PDE4BRORCNAMPTTACR1GPR119
SCHEMBL148143 0.83 RORC (0.49) PDE4BRORCNAMPTTACR1GPR119

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
EP-1957450-B1 SEROTONIN TRANSPORTER (SERT) INHIBITORS HOFFMANN LA ROCHE (CH) 2009-06-24 EP disclosed
EP-1957450-B1 SEROTONIN TRANSPORTER (SERT) INHIBITORS HOFFMANN LA ROCHE (CH) 2009-06-24 EP disclosed
EP-1957450-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063009-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129419-A1 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. 2007-06-07 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-20070129419-A1 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety SLC6A4, SLC6A2, SLC6A3 PDE4B 2554/4885RORC 3055/4885NR1H2 1325/4885

“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.