SCHEMBL4467710

SCHEMBL4467710

COc1ccc(-c2ccc(N3C(=O)OC(C)C3C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.46
HSD11B1 P28845 7/20 0.42
APP P05067 1/20 0.40
GFER P55789 2/20 0.40
MGLL Q99685 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4448420 0.80 GRM2 (0.50) GRM2HSD11B1RAB9ASMN1; SMN2KDM4E
SCHEMBL8941864 0.77 HSD11B1 (0.43) GRM2HSD11B1GFERMGLLRAB9A
SCHEMBL4455582 0.74 TNKS (0.39) GRM2
SCHEMBL4467712 0.72 GRM2 (0.45) GRM2RAB9ASMN1; SMN2EGFRKDM4E
SCHEMBL8941897 0.70 GRM2 (0.42) GRM2HSD11B1KDM4EMEN1GAA
SCHEMBL8941935 0.69 ALDH1A1 (0.44) GRM2HSD11B1RAB9ASMN1; SMN2KDM4E
SCHEMBL21944956 0.68 SMN1; SMN2 (0.60) HSD11B1GFERMGLLRAB9APOLB
SCHEMBL20408735 0.67 L3MBTL1 (0.52) HSD11B1GFERPOLBMEN1MAPT
SCHEMBL22422907 0.66 GRM2 (0.58) GRM2POLB
SCHEMBL14382111 0.66 HSD11B1 (0.54) HSD11B1MGLLRAB9APOLBSMN1; SMN2

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 4432/4885HSD11B1 945/4885APP 4149/4885

“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.