SCHEMBL6322995

SCHEMBL6322995

COc1ccc([C@]2(C(N)=O)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.74
PDE4D Q08499 18/20 0.74
PDE4A P27815 17/20 0.74
PDE4C Q08493 17/20 0.74
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.49
MAPK14 Q16539 1/20 0.47

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
SCHEMBL6323001 1.00 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL6322447 1.00 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL8344453 0.87 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL14473185 0.86 PDE4A (0.76) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL13790344 0.86 PDE4A (0.76) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL7869812 0.85 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL7416733 0.85 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL7359174 0.83 PDE4B (0.82) PDE4BPDE4DPDE4APDE4C
SCHEMBL7363153 0.83 PDE4B (0.82) PDE4BPDE4DPDE4APDE4C
SCHEMBL7359794 0.83 PDE4A (0.71) PDE4BPDE4DPDE4APDE4CPOLB

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-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
US-20030050497-A1 Process and intermediates for preparing a cyclohexylnitrile SMITHKLINE BEECHAM CORPORATION 2003-03-13 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-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile HPD, PCCA, MCCC2 PDE4B 2828/4885PDE4D 3281/4885PDE4A 2567/4885
US-20030050497-A1 Process and intermediates for preparing a cyclohexylnitrile HPD, PCCA, MCCC2 PDE4B 2785/4885PDE4D 3239/4885PDE4A 2549/4885

“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.