SCHEMBL5485857

SCHEMBL5485857

COc1cc2c(cc1OC)N(C)C(=O)CN=C2c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.54
GABRA1 P14867 11/20 0.50
GABRA5 P31644 11/20 0.50
GABRA2 P47869 10/20 0.50
GABRB2 P47870 8/20 0.50
GABRA3 P34903 10/20 0.49
GABRG2 P18507 9/20 0.49
GABRB3 P28472 9/20 0.49
CCKBR P32239 2/20 0.49
OPRK1 P41145 2/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
CACNA1F O60840 1/20 0.46

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
SCHEMBL5489050 0.90 PDE2A (0.58) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5360424 0.85 PDE2A (0.66) PDE2AGABRA1GABRA5GABRA2GABRB2
Dimethylamine SCHEMBL5493029 0.82 PDE2A (0.65) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL4709075 0.81 PDE2A (0.61) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5496998 0.81 PDE2A (0.67) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5488783 0.80 PDE2A (0.68) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL4709486 0.80 PDE2A (0.48) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5486258 0.79 PDE2A (0.81) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL31695994 0.79 GABRA1 (0.73) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL5490269 0.79 PDE2A (0.64) PDE2AGABRA1GABRA5GABRA2GABRB2

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 PDE2A 7/4885GABRA1 92/4885GABRA5 98/4885

“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.