SCHEMBL4412658

SCHEMBL4412658

COc1cc2c(c(OC)c1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.72
GABRA1 P14867 6/20 0.42
GABRG2 P18507 6/20 0.42
GABRB3 P28472 6/20 0.42
GABRA5 P31644 6/20 0.42
GABRA3 P34903 6/20 0.42
GABRA2 P47869 6/20 0.42
GABRB2 P47870 4/20 0.42
CCKBR P32239 1/20 0.42
FYN P06241 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
CACNA1F O60840 1/20 0.40
ALB P02768 1/20 0.40
GABRB1 P18505 1/20 0.40
OPRK1 P41145 1/20 0.40
AKR1C3 P42330 1/20 0.40
GABRA4 P48169 1/20 0.40
AKR1C2 P52895 1/20 0.40
GABRE P78334 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
SCHEMBL4423105 0.93 PDE2A (0.63) PDE2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL4709995 0.93 PDE2A (0.72) PDE2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL4412620 0.89 PDE2A (0.60) PDE2AFYNPDE4DATRHDAC1
SCHEMBL4424399 0.89 PDE2A (0.60) PDE2AFYNPDE4DATRERN1
SCHEMBL4708377 0.88 PDE2A (0.66) PDE2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL4411561 0.87 PDE2A (0.58) PDE2AFYNLMNA
SCHEMBL4412511 0.87 GABRA1 (0.54) PDE2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL4602359 0.87 PDE2A (0.58) PDE2AFYNPDE4DATRHDAC1
SCHEMBL4709022 0.87 PDE2A (0.66) PDE2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL4414019 0.86 PDE2A (0.57) PDE2AOPRK1KCNH2PDE4DLMNA

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 6 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-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP claimed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO 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 60/4885GABRG2 72/4885

“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.