SCHEMBL14495293

SCHEMBL14495293

Cc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.51
RORC P51449 1/20 0.46
NR1H2 P55055 1/20 0.46
NAMPT P43490 1/20 0.45
TERT O14746 1/20 0.41
TACR1 P25103 2/20 0.41
IDO1 P14902 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
USP30 Q70CQ3 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 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
SCHEMBL4008541 1.00 PDE4B (0.51) PDE4BRORCNR1H2NAMPTTERT
SCHEMBL13809449 1.00 PDE4B (0.51) PDE4BRORCNR1H2NAMPTTERT
SCHEMBL4007689 0.88 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL4009937 0.88 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL14498549 0.88 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL14495534 0.88 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL14498553 0.88 PDE4B (0.49) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL4390391 0.85 RORC (0.60) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL4007683 0.85 RORC (0.60) PDE4BRORCNR1H2NAMPTTACR1
SCHEMBL13809297 0.85 RORC (0.60) PDE4BRORCNR1H2NAMPTTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3055/4885NR1H2 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.