SCHEMBL4460629

SCHEMBL4460629

CCOC1(c2ccc(-c3ccccc3)cc2)C(C)OC(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP3 P08254 1/20 0.36
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAAA Q02083 1/20 0.32
CES2 O00748 1/20 0.32
ADRA2A P08913 1/20 0.31
NISCH Q9Y2I1 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
SCHEMBL4459771 0.85 GRM2 (0.40) GRM2MMP2MMP9MMP3NAAA
SCHEMBL4445297 0.82 GRM2 (0.38) GRM2MMP2MMP9MMP3NAAA
SCHEMBL4472190 0.81 GRM2 (0.37) GRM2MMP2MMP9MMP3
SCHEMBL4447348 0.74 GRM2 (0.42) GRM2MMP2MMP9MMP3CES2
SCHEMBL4453549 0.71 SMN1; SMN2 (0.39) GRM2SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6427016 0.62 PLA2G7 (0.36) GRM2SMN1; SMN2MAPK1L3MBTL1
SCHEMBL4452493 0.61 MMP2 (0.41) GRM2MMP2MMP9MMP3L3MBTL1
SCHEMBL4460824 0.60 GAA (0.42) GRM2MMP2MMP9MMP3L3MBTL1
SCHEMBL4458256 0.59 IDH1 (0.39) SMN1; SMN2MMP2MMP9MMP3
SCHEMBL4450103 0.58 GAA (0.40) GRM2MMP2MMP9MMP3L3MBTL1

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 4432/4885SMN1; SMN2 902/4885MMP2 2334/4885

“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.