SCHEMBL4709544

SCHEMBL4709544

COc1cc2c(cc1OC)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN=C2c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.45
TP53 P04637 4/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL4709565 0.92 NPSR1 (0.56) NPSR1PTGDR2TP53GABRA1GABRG2
SCHEMBL4708303 0.89 TP53 (0.52) NPSR1PTGDR2TP53GABRA1GABRG2
SCHEMBL4710191 0.88 NPSR1 (0.58) NPSR1PTGDR2TP53GRM5GRM1
SCHEMBL4707885 0.87 TP53 (0.54) NPSR1PTGDR2TP53GABRA1GABRG2
SCHEMBL4711307 0.85 GABRA1 (0.46) NPSR1PTGDR2TP53GABRA1GABRG2
SCHEMBL4708345 0.85 TP53 (0.51) NPSR1PTGDR2TP53GABRA1GABRG2
SCHEMBL4708666 0.83 GABRA1 (0.50) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL4709481 0.82 GRM5 (0.47) NPSR1PTGDR2TP53GRIN1GRIN2B
SCHEMBL4710653 0.82 GABRA1 (0.52) NPSR1PTGDR2TP53GABRA1GABRG2
SCHEMBL5038285 0.81 PTGDR2 (0.51) NPSR1PTGDR2TP53GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US claimed
JP-2006509832-A 2006-03-23 JP claimed
EP-1556055-A2 USE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE IN THERAPY NEURO3D (FR) 2005-07-27 EP claimed
WO-2004041258-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES NEURO3D (FR) 2004-05-21 WO claimed
EP-1556055-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE AND THEIR USE IN THERAPY VIA PHARMACEUTICALS INC (US) 2008-10-29 EP disclosed
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US disclosed
EP-1556055-A2 USE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE IN THERAPY NEURO3D (FR) 2005-07-27 EP disclosed
WO-2004041258-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES NEURO3D (FR) 2004-05-21 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-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses PDE7A, PDE4A, PDE4B NPSR1 406/4885PTGDR2 74/4885TP53 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.