SCHEMBL4008250

SCHEMBL4008250

CC(C)(C)OC(=O)N1CC(CO)C(c2cccc(Cl)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.57
RORC P51449 1/20 0.46
STS P08842 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TACR1 P25103 2/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 1/20 0.42
NR1H2 P55055 1/20 0.42
DPP4 P27487 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
CCR5 P51681 1/20 0.41
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MDM2 Q00987 3/20 0.41

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
SCHEMBL14498551 1.00 PDE4B (0.57) PDE4BRORCSTSPDE4APDE4C
SCHEMBL14495628 1.00 PDE4B (0.57) PDE4BRORCSTSPDE4APDE4C
SCHEMBL4009383 0.86 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL13809446 0.86 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL6104661 0.86 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL16107905 0.86 PDE4B (0.59) PDE4BRORCSTSPDE4APDE4C
SCHEMBL14495287 0.86 PDE4B (0.59) PDE4BRORCSTSPDE4APDE4C
SCHEMBL4011915 0.86 PDE4B (0.59) PDE4BRORCSTSPDE4APDE4C
SCHEMBL31412605 0.86 PDE4B (0.59) PDE4BRORCSTSPDE4APDE4C
SCHEMBL4007683 0.86 RORC (0.60) PDE4BRORCPDE4APDE4CPDE4D

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 3055/4885STS 229/4885

“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.