SCHEMBL7100528

SCHEMBL7100528

COc1cccc2sc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.48
HTR1A P08908 2/20 0.47
SLC6A4 P31645 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
STS P08842 1/20 0.45
TGFBR1 P36897 1/20 0.45
TP53 P04637 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL7099621 0.79 HDAC1 (0.42) PDE4BPDE4APDE4CPDE4DSTS
SCHEMBL25484153 0.79 KDM4E (0.48) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL7147179 0.78 PDE4B (0.55) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL19297154 0.77 PDE4B (0.51) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL4854592 0.77 MEN1 (0.64) PDE4BMEN1KMT2AMAPTTP53
SCHEMBL25483959 0.76 STS (0.50) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL31412656 0.76 MMP13 (0.52) PDE4BSLC6A4KDM4EMAPTTHRB
SCHEMBL17080912 0.75 GPR119 (0.46) MEN1KMT2AKDM4EMAPTTHRB
SCHEMBL4853312 0.75 ALDH1A1 (0.54) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL17376154 0.75 MEN1 (0.51) PDE4BMEN1KMT2APDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153764-A1 Process for preparing 4-substituted piperidines ELI LILLY AND COMPANY 2003-08-14 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-20030153764-A1 Process for preparing 4-substituted piperidines PDGFRA, GTF3C5, GRIA4 PDE4B 1031/4885HTR1A 316/4885SLC6A4 1890/4885

“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.