SCHEMBL4411571

SCHEMBL4411571

COCC#Cc1cccc(C2=NCC(=O)N(C)c3cc(OC)c(-c4ccccc4)c(OC)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.47
GABRA1 P14867 9/20 0.43
GABRA5 P31644 9/20 0.43
GABRA2 P47869 9/20 0.43
GABRA3 P34903 8/20 0.43
GABRG2 P18507 7/20 0.43
GABRB3 P28472 7/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 3/20 0.42
GABRB2 P47870 7/20 0.41
CCKBR P32239 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 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
SCHEMBL4412507 0.91 PDE2A (0.49) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4632901 0.90 PDE2A (0.39) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4410792 0.87 GABRA1 (0.56) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4412511 0.85 GABRA1 (0.54) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL5038997 0.84 PDE2A (0.66) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4410609 0.84 PDE2A (0.44) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4422075 0.83 GABRA1 (0.53) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4410830 0.82 GABRA1 (0.54) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4418612 0.81 PDE2A (0.46) PDE2AGABRA1GABRA5GABRA2GABRA3
SCHEMBL4413427 0.80 GABRA1 (0.48) PDE2AGABRA1GABRA5GABRA2GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US claimed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP claimed
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US disclosed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP 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-20090215752-A1 Compounds, preparation and therapeutic use thereof PDE12, PDE4B, PDE2A PDE2A 3/4885GABRA1 60/4885GABRA5 35/4885

“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.