SCHEMBL5490309

SCHEMBL5490309

CCOc1cc2c(cc1OCC)N(Cc1ccccc1)C(=O)CN=C2c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.58
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 2/20 0.55
HTT P42858 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
OPRK1 P41145 2/20 0.47
NR1I2 O75469 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
OPRM1 P35372 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
CACNA1F O60840 1/20 0.47
ALB P02768 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47

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
SCHEMBL5497041 0.90 TP53 (0.47) TP53NPSR1GAAHTTGPR55
SCHEMBL5492932 0.89 TP53 (0.60) TP53NPSR1GAAHTTGPR55
SCHEMBL5490934 0.86 SMN1; SMN2 (0.51) TP53NPSR1OPRK1NR1I2ADORA3
SCHEMBL5489931 0.84 GABRA1 (0.61) GAAOPRK1GABRPGABRDCACNA1F
SCHEMBL5042493 0.83 PDE2A (0.47) TP53NPSR1GAAHTTGPR55
SCHEMBL5037636 0.82 GABRA1 (0.49) TP53NPSR1GAAHTTGPR55
SCHEMBL5489020 0.80 PDE2A (0.58) TP53GAAOPRK1GABRPGABRD
SCHEMBL5489965 0.80 TP53 (0.52) TP53NPSR1GAAHTTGPR55
SCHEMBL4708303 0.79 TP53 (0.52) TP53NPSR1GAAHTTGPR55
SCHEMBL27562818 0.79 NPSR1 (0.78) TP53NPSR1GAAHTTGPR55

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 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 TP53 4880/4885NPSR1 154/4885GAA 266/4885

“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.