SCHEMBL30837855

SCHEMBL30837855

COc1ccc(Cn2c(=O)c3cc(OCC#N)ccc3n(C3CCSCC3)c2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 1.00
PDE7B Q9NP56 5/20 1.00
PDE8A O60658 3/20 0.56
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
CASR P41180 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35

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
SCHEMBL581641 1.00 PDE7A (1.00) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL139609 0.90 PDE7A (0.82) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL30837814 0.90 PDE7A (0.82) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL2681821 0.90 PDE7A (0.82) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL581680 0.89 PDE7A (0.81) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL30837880 0.89 PDE7A (0.81) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL7886324 0.89 PDE7A (0.80) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL582248 0.89 PDE7A (0.79) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL581681 0.89 PDE7A (0.79) PDE7APDE7BPDE8AKMT2AMEN1
SCHEMBL30837929 0.89 PDE7A (0.79) PDE7APDE7BPDE8AKMT2AMEN1

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
EP-4572765-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE Mitodicure GmbH (DE) 2025-06-25 EP disclosed
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed