SCHEMBL3782469

SCHEMBL3782469

CCOP(=O)(CC=Cc1cccc(CN(C)C)c1)OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
MEF2D Q14814 1/20 0.38
ACHE P22303 3/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NR1I2 O75469 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 1/20 0.34
NOS1 P29475 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3782468 1.00 HDAC4 (0.38) HDAC4MEF2DACHECYP4F2CYP4A11
SCHEMBL3771661 0.80 CCNB2 (0.45) NR1I2
SCHEMBL3771665 0.80 CCNB2 (0.45) NR1I2
SCHEMBL3764325 0.80 RELA (0.42) NR1I2
SCHEMBL3764328 0.80 RELA (0.42) NR1I2
SCHEMBL3769564 0.79 HDAC3 (0.45) HDAC4ALDH1A1KDM4E
SCHEMBL3769562 0.79 HDAC3 (0.45) HDAC4ALDH1A1KDM4E
SCHEMBL3776959 0.79 NFE2L2 (0.47)
SCHEMBL3769402 0.79 NFE2L2 (0.44) ALDH1A1NR1I2
SCHEMBL3776956 0.79 NFE2L2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US 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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 HDAC4 1311/4885MEF2D 3208/4885ACHE 319/4885

“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.