SCHEMBL5095260

SCHEMBL5095260

CCOC(=O)[C@@H]1[C@@H]2C[C@@H](SCc3ccc(Cl)c(Cl)c3)[C@@](N)(C(=O)OCc3ccccc3)[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 8/20 0.35
GRM3 Q14832 8/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRM7 Q14831 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7392780 0.76 GRM2 (0.46) GRM2GRM3
SCHEMBL5092142 0.76 GRM2 (0.55) GRM2GRM3GRM8GRM6GRM7
SCHEMBL5093944 0.75 GRM2 (0.55) GRM2GRM3
SCHEMBL5089416 0.73 GRM2 (0.56) GRM2GRM3
SCHEMBL232413 0.72 GRM2 (0.48) SMN1; SMN2KDM4EALDH1A1L3MBTL1GRM2
SCHEMBL7390481 0.71 GRM2 (0.38) GRM2GRM3
SCHEMBL7385604 0.69 CYP1A2 (0.40) ALDH1A1L3MBTL1
SCHEMBL233634 0.64 GRM2 (0.47) GRM2GRM3
SCHEMBL5100253 0.64 GRM2 (0.52) GRM2GRM3
SCHEMBL20309426 0.64 SMN1; SMN2 (0.48) SLC6A3SMN1; SMN2KDM4EALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 US claimed
US-7381746-B2 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US disclosed
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 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-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative GRIA3, GRIN3A, GRM3 SLC6A3 56/4885SMN1; SMN2 1475/4885KDM4E 3565/4885

“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.