SCHEMBL5100368

SCHEMBL5100368

CCOC(=O)[C@@]1(N)[C@H]2[C@@H](C[C@H]1SCc1ccc(C(C)(C)C)cc1)[C@]2(F)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.39
GRM3 Q14832 4/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.36
EPHX1 P07099 1/20 0.33
ACE P12821 1/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL5100712 0.89 GRM2 (0.40) GRM2GRM3
SCHEMBL5095194 0.87 GRM2 (0.39) GRM2GRM3LMNADPP4DPP7
SCHEMBL232413 0.83 GRM2 (0.48) GRM2GRM3SMN1; SMN2
SCHEMBL5089429 0.83 ALDH1A1 (0.41) GRM2GRM3MAPTSMN1; SMN2EPHX1
SCHEMBL5100697 0.83 GRM2 (0.52) GRM2GRM3
SCHEMBL5092717 0.78 ALDH1A1 (0.38) GRM2GRM3SMN1; SMN2
SCHEMBL5089416 0.78 GRM2 (0.56) GRM2GRM3
SCHEMBL5092410 0.78 GRM2 (0.34) GRM2GRM3
SCHEMBL5095059 0.77 SLC6A2 (0.38) GRM2GRM3SMN1; SMN2
SCHEMBL5094263 0.76 GRM2 (0.35) GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381746-B2 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US claimed
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 GRM2 14/4885GRM3 3/4885LMNA 4772/4885

“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.