SCHEMBL4414019

SCHEMBL4414019

COc1cc2c(c(OC)c1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2CCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.40
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 2/20 0.38
KCNH2 Q12809 1/20 0.38
FAAH O00519 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4667843 0.91 PDE2A (0.54) PDE2APTGDR2PDE4APDE4BPDE4C
SCHEMBL4412620 0.90 PDE2A (0.60) PDE2APTGDR2PDE4DFAAHTP53
SCHEMBL4411561 0.90 PDE2A (0.58) PDE2APTGDR2TP53MAPTLMNA
SCHEMBL4424399 0.88 PDE2A (0.60) PDE2APTGDR2PDE4DFAAHTP53
SCHEMBL4602359 0.88 PDE2A (0.58) PDE2APTGDR2PDE4DFAAHTP53
SCHEMBL4412658 0.86 PDE2A (0.72) PDE2APDE4DOPRK1KCNH2FAAH
SCHEMBL4412817 0.85 GABRA1 (0.43) PDE2APTGDR2PDE4APDE4BPDE4C
SCHEMBL4414065 0.85 PDE2A (0.56) PDE2APTGDR2PDE4DOPRK1KCNH2
SCHEMBL4423211 0.84 PDE2A (0.54) PDE2APTGDR2PDE4DOPRK1FAAH
SCHEMBL4423000 0.83 PTGDR2 (0.55) PDE2APTGDR2TP53MAPT

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 3/4885PTGDR2 48/4885PDE4A 8/4885

“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.