SCHEMBL3769562

SCHEMBL3769562

CCOP(=O)(C/C=C/c1cccc(CN2CCN(C)CC2)c1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45
AURKA O14965 5/20 0.42
AURKB Q96GD4 5/20 0.42
MC4R P32245 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHKA P35790 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
SCHEMBL3769564 1.00 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3764321 0.91 ACHE (0.42) KDM4EALDH1A1TDP1
SCHEMBL3764324 0.91 ACHE (0.42) KDM4EALDH1A1TDP1
SCHEMBL3782468 0.79 HDAC4 (0.38) HDAC4KDM4EALDH1A1
SCHEMBL3782469 0.79 HDAC4 (0.38) HDAC4KDM4EALDH1A1
SCHEMBL3775504 0.78 HTT (0.44) HDAC1HDAC6ALDH1A1NPC1RAB9A
SCHEMBL3775498 0.78 HTT (0.44) HDAC1HDAC6ALDH1A1NPC1RAB9A
SCHEMBL12126807 0.75 MC4R (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3764325 0.74 RELA (0.42) TDP1NPC1TP53
SCHEMBL3771665 0.74 CCNB2 (0.45)

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 HDAC3 1267/4885HDAC4 1311/4885HDAC1 1686/4885

“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.