SCHEMBL4709481

SCHEMBL4709481

CCN1C(=O)CN=C(c2cccc(C(F)(F)F)c2)c2cc(OC)c(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
GRM1 Q13255 1/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 3/20 0.45
PDE2A O00408 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
NR1I2 O75469 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
PDE4B Q07343 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4707946 0.92 GRM5 (0.46) GRM5GRM1TP53MAPTNPSR1
SCHEMBL4710191 0.89 NPSR1 (0.58) GRM5GRM1TP53MAPTNPSR1
SCHEMBL4709468 0.87 PDE2A (0.57) GRM5GRM1TP53MAPTNPSR1
SCHEMBL5489965 0.85 TP53 (0.52) TP53MAPTNPSR1PDE2ANR1I2
SCHEMBL5489907 0.85 GABRA1 (0.47) TP53MAPTPDE2ANR1I2ADORA3
SCHEMBL5484931 0.83 TP53 (0.51) TP53MAPTNPSR1PDE2ANR1I2
SCHEMBL5493792 0.83 PDE2A (0.48) TP53MAPTPDE2APTGDR2NR1I2
SCHEMBL4708666 0.83 GABRA1 (0.50) TP53MAPTPDE2ANR1I2ADORA3
SCHEMBL4709544 0.82 NPSR1 (0.47) GRM5GRM1TP53MAPTNPSR1
SCHEMBL4708304 0.81 PDE2A (0.66) TP53MAPTPDE2APTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556055-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE AND THEIR USE IN THERAPY VIA PHARMACEUTICALS INC (US) 2008-10-29 EP claimed
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US claimed
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 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 (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-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses PDE7A, PDE4A, PDE4B GRM5 753/4885GRM1 1780/4885TP53 4876/4885

“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.