SCHEMBL5490400

SCHEMBL5490400

CCN1C(=O)CN=C(c2ccc(CCc3ccccc3)cc2)c2cc(OC)c(OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 1/20 0.46
PDE2A O00408 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
RCE1 Q9Y256 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
NR1I2 O75469 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL5484931 0.91 TP53 (0.51) TP53MAPTPDE2ANPSR1GAA
SCHEMBL5489965 0.91 TP53 (0.52) TP53MAPTPDE2ANPSR1GAA
SCHEMBL5492583 0.88 GABRA1 (0.48) TP53MAPTPDE2ANR1I2ADORA3
SCHEMBL5492932 0.85 TP53 (0.60) PTGDR2TP53MAPTNPSR1GAA
SCHEMBL5486804 0.85 PDE2A (0.48) PTGDR2TP53MAPTPDE2AKDM4E
SCHEMBL5490657 0.83 TP53 (0.51) TP53MAPTPDE2ANR1I2ADORA3
SCHEMBL5486274 0.83 HDAC1 (0.41) PTGDR2TP53MAPTPDE2A
SCHEMBL5493792 0.82 PDE2A (0.48) PTGDR2TP53MAPTPDE2AKDM4E
SCHEMBL5497041 0.81 TP53 (0.47) TP53MAPTKDM4ENPSR1GAA
SCHEMBL5489907 0.80 GABRA1 (0.47) TP53MAPTPDE2AKDM4ENR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US 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

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 PTGDR2 135/4885TP53 4880/4885MAPT 4388/4885

“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.