SCHEMBL13809446

SCHEMBL13809446

CC(C)(C)OC(=O)N1C[C@H](CO)[C@H](c2cccc(F)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.57
RORC P51449 1/20 0.48
TACR1 P25103 4/20 0.45
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
NR1H2 P55055 1/20 0.42
RIPK1 Q13546 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TNF P01375 1/20 0.40
NAMPT P43490 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
SCHEMBL6104661 1.00 PDE4B (0.57) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL4009383 1.00 PDE4B (0.57) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL4008250 0.86 PDE4B (0.57) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL14495628 0.86 PDE4B (0.57) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL14498551 0.86 PDE4B (0.57) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL14495668 0.86 PDE4B (0.59) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL4006824 0.86 PDE4B (0.59) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL14498547 0.86 PDE4B (0.59) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL4247036 0.86 RORC (0.60) PDE4BRORCTACR1PDE4APDE4C
SCHEMBL2343146 0.86 RORC (0.60) PDE4BRORCTACR1PDE4APDE4C

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 4 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
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
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 3055/4885TACR1 171/4885

“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.