SCHEMBL3764324

SCHEMBL3764324

CCOP(=O)(CC=Cc1cccc(CN2CCCC2)c1)OCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
PRMT6 Q96LA8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3764321 1.00 ACHE (0.42) ACHEPRMT6SMN1; SMN2ALDH1A1TDP1
SCHEMBL3769564 0.91 HDAC3 (0.45) ALDH1A1TDP1KDM4E
SCHEMBL3769562 0.91 HDAC3 (0.45) ALDH1A1TDP1KDM4E
SCHEMBL3775504 0.80 HTT (0.44) SMN1; SMN2ALDH1A1CYP2C9GAA
SCHEMBL3775498 0.80 HTT (0.44) SMN1; SMN2ALDH1A1CYP2C9GAA
SCHEMBL3782468 0.78 HDAC4 (0.38) ACHESMN1; SMN2ALDH1A1KDM4E
SCHEMBL3782469 0.78 HDAC4 (0.38) ACHESMN1; SMN2ALDH1A1KDM4E
SCHEMBL3764328 0.76 RELA (0.42) TDP1
SCHEMBL3771665 0.76 CCNB2 (0.45)
SCHEMBL3771661 0.76 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 ACHE 319/4885PRMT6 2737/4885SMN1; SMN2 316/4885

“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.