SCHEMBL4459771

SCHEMBL4459771

COC1(c2ccc(-c3ccccc3)cc2)C(C)OC(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.40
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32
BRD4 O60885 1/20 0.32
MAOA P21397 1/20 0.32
BACE1 P56817 1/20 0.31
NAAA Q02083 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL4460629 0.85 GRM2 (0.40) GRM2MMP2MMP3MMP9NAAA
SCHEMBL4445297 0.85 GRM2 (0.38) GRM2MMP2MMP3MMP9SLC6A2
SCHEMBL4472190 0.84 GRM2 (0.37) GRM2MMP2MMP3MMP9BACE1
SCHEMBL4454824 0.80 GRM2 (0.40) GRM2MMP2MMP3MMP9CHRNA1
SCHEMBL4447348 0.77 GRM2 (0.42) GRM2MMP2MMP3MMP9CHRNA1
SCHEMBL4453549 0.74 SMN1; SMN2 (0.39) GRM2MMP2MMP3MMP9CHRNA1
SCHEMBL4454486 0.67 GAA (0.35) GRM2MMP2MMP3MMP9BACE1
SCHEMBL6427016 0.65 PLA2G7 (0.36) GRM2BRD4MAOA
SCHEMBL4458256 0.62 IDH1 (0.39) MMP2MMP3MMP9CHRNA1CHRNG
SCHEMBL4450103 0.61 GAA (0.40) GRM2MMP2MMP3MMP9BACE1

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 GRM2 4432/4885MMP2 2334/4885MMP3 3754/4885

“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.