SCHEMBL4445297

SCHEMBL4445297

CC(C)OC1(c2ccc(-c3ccccc3)cc2)C(C)OC(=O)N1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
ATM Q13315 1/20 0.34
NAAA Q02083 3/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP1 P03956 1/20 0.31
ADAM17 P78536 1/20 0.31
FAAH O00519 3/20 0.31
DRD2 P14416 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
IDH1 O75874 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MMP3 P08254 1/20 0.31
HSD17B2 P37059 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30

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) GRM2NAAAMMP2MMP9FAAH
SCHEMBL4460629 0.82 GRM2 (0.40) GRM2NAAAMMP2MMP9MMP3
SCHEMBL4472190 0.81 GRM2 (0.37) GRM2MMP2MMP9MMP3
SCHEMBL4447348 0.74 GRM2 (0.42) GRM2MMP2MMP9DRD2SIGMAR1
SCHEMBL4453549 0.71 SMN1; SMN2 (0.39) GRM2NAAAMMP2MMP9MMP1
SCHEMBL6427016 0.62 PLA2G7 (0.36) GRM2DRD2IDH1
SCHEMBL4458256 0.59 IDH1 (0.39) MMP2MMP9MMP1ADAM17IDH1
SCHEMBL4480093 0.58 ELANE (0.38) GRM2MMP2MMP9MMP1ADAM17
SCHEMBL4450103 0.58 GAA (0.40) GRM2MMP2MMP9MMP1ADAM17
Biphenyl SCHEMBL8635297 0.54 ALDH1A1 (0.53) PDCD1CD274SLC6A4MMP3

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 4432/4885ATM 2272/4885NAAA 2344/4885

“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.