SCHEMBL22023926

SCHEMBL22023926

CCCCC(C)(CCCC)C1CNC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL22024174 0.97 CCR2 (0.33) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL21884191 0.87 CCR2 (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22023873 0.83 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL23634129 0.80 CCR2 (0.36) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL22024008 0.80 CCR2 (0.36) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL21191549 0.79 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL22023911 0.78 SLC2A1 (0.35) PDE4AALDH1A1GAATSHR
SCHEMBL14592820 0.73 ALDH1A1 (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8931418 0.73 ALDH1A1 (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL14592897 0.73 ALDH1A1 (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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 (2 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PDE4A 2385/4885PDE4B 2436/4885PDE4C 1871/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PDE4A 2385/4885PDE4B 2436/4885PDE4C 1871/4885

“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.