SCHEMBL4710653

SCHEMBL4710653

COc1cc2c(cc1OC)N(CCc1ccccc1)C(=O)CN=C2c1cccc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.52
GABRG2 P18507 5/20 0.52
GABRB3 P28472 5/20 0.52
GABRA5 P31644 5/20 0.52
GABRA3 P34903 5/20 0.52
GABRA2 P47869 5/20 0.52
PDE2A O00408 2/20 0.47
TP53 P04637 4/20 0.42
MAPT P10636 1/20 0.42
GABRB2 P47870 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HDAC1 Q13547 2/20 0.40
MAPK1 P28482 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
CACNA1F O60840 1/20 0.39
ALB P02768 1/20 0.39
GABRB1 P18505 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL5038967 0.92 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4708303 0.91 TP53 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6029445 0.89 PTGDR2 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4709494 0.89 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4708666 0.87 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4709453 0.85 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4707885 0.84 TP53 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4711307 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4708345 0.84 TP53 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4707479 0.83 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US 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 GABRA1 979/4885GABRG2 1277/4885GABRB3 1222/4885

“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.