SCHEMBL5486201

SCHEMBL5486201

CCOc1cc2c(cc1OCC)C(CC)C(=O)NN=C2c1csc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PGK1 P00558 1/20 0.33
MAOB P27338 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TGFBR1 P36897 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGER2 P43116 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
TNIK Q9UKE5 1/20 0.32
GUSB P08236 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31

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
SCHEMBL7408243 0.81 KDM4E (0.37) ALDH1A1KDM4ELMNAMAPTTP53
SCHEMBL5486198 0.80 JAK2 (0.36) PGK1ERN1
SCHEMBL5439697 0.74 PDE4A (0.44) ALDH1A1KDM4EMAPTMAPK1
SCHEMBL5424906 0.74 PDE4A (0.44) ALDH1A1KDM4EMAPTMAPK1
SCHEMBL5436368 0.74 PDE4A (0.56) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL5431284 0.74 PDE4A (0.56) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL5489956 0.73 JAK2 (0.35) MAPTTNIK
SCHEMBL5428018 0.72 MEN1 (0.41) ALDH1A1KDM4ELMNAMAPTTP53
SCHEMBL5430941 0.68 PDE4A (0.61) MAPK1
SCHEMBL5428060 0.68 PDE4A (0.61) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO claimed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 WO disclosed
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A DRD2 752/4885DRD4 1223/4885DRD3 899/4885

“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.