SCHEMBL4005405

SCHEMBL4005405

CC(C)(C)OC(=O)N1C[C@H](COS(C)(=O)=O)[C@H](c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.54
PDE4B Q07343 5/20 0.49
TACR1 P25103 3/20 0.47
STS P08842 1/20 0.42
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 2/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
HCRTR2 O43614 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 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
SCHEMBL4710969 0.90 TACR1 (0.49) RORCPDE4BTACR1STSGPR119
SCHEMBL20475142 0.88 PDE4B (0.54) RORCPDE4BSTSGPR119
SCHEMBL20475143 0.88 PDE4B (0.54) RORCPDE4BSTSGPR119
SCHEMBL23040383 0.88 PDE4B (0.54) RORCPDE4BSTSGPR119
SCHEMBL23040382 0.88 PDE4B (0.54) RORCPDE4BSTSGPR119
SCHEMBL4106856 0.86 CCR5 (0.41)
SCHEMBL4007683 0.83 RORC (0.60) RORCPDE4BTACR1NAMPTGPR119
SCHEMBL4390391 0.83 RORC (0.60) RORCPDE4BTACR1NAMPTGPR119
SCHEMBL4247036 0.83 RORC (0.60) RORCPDE4BTACR1NAMPTGPR119
SCHEMBL13809300 0.83 RORC (0.60) RORCPDE4BTACR1NAMPTGPR119

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
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 RORC 3055/4885PDE4B 2554/4885TACR1 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.