Sugi Predict

Sugi Predict / Compounds / SCHEMBL231802

SCHEMBL231802

SCHEMBL231802

CCOC(=O)[C@@]1(F)[C@@H]2C[C@H](O)[C@@](NC(=O)OC(C)(C)C)(C(=O)OCC)[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL14931828 1.00 GRM2 (0.36) GRM2GRM3MEN1KMT2AALDH1A1
SCHEMBL232862 0.87 GRM2 (0.35) GRM2GRM3MEN1KMT2AALDH1A1
SCHEMBL14932105 0.81 GRM2 (0.38) GRM2GRM3
SCHEMBL5961901 0.81 GRM2 (0.38) GRM2GRM3
SCHEMBL232600 0.81 GRM2 (0.38) GRM2GRM3
SCHEMBL14932087 0.75 TSHR (0.41) GRM2GRM3ALDH1A1TSHR
SCHEMBL232123 0.75 TSHR (0.41) GRM2GRM3ALDH1A1TSHR
SCHEMBL514346 0.73 POLB (0.30) —
SCHEMBL231399 0.71 GRM2 (0.38) GRM2GRM3
SCHEMBL13525930 0.68 KMT2A (0.38) MEN1KMT2AALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350060-B2 2-amino-bicyclo[3.1.0] hexane-2, 6-dicarboxylic ester derivative Taisho Pharamceutical Co., Ltd. (JP) 2013-01-08 — — US disclosed
US-8258133-B2 2-amino-bicyclo[3.1.0]hexane-2, 6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 — — US disclosed
EP-2123630-B1 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO LTD (JP) 2012-07-25 — — EP disclosed
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-02 — — US disclosed
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-05 — — US disclosed
US-8076502-B2 2-amino-bicyclo(3.1.0) hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICALS CO., LTD. (JP) 2011-12-13 — — US disclosed
US-8039647-B2 2-amino-bicyclo (3.1.0) hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 — — US disclosed
US-7960579-B2 2-amino-bicyclo [3.1.0] hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 — — US disclosed
EP-2287147-A2 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 — — EP disclosed
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-11-25 — — US disclosed
EP-1637517-B1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2010-11-10 — — EP disclosed
US-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 — — US disclosed
EP-2123630-A1 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative Taisho Pharmaceutical Co. Ltd. (JP) 2009-11-25 — — EP disclosed
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-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-25 — — 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
EP-1637517-A1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-03-22 — — EP 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 (6 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-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative GRIK4, GRIN2D, GRIN2C GRM2 7/4885GRM3 23/4885MEN1 3095/4885
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative GRIN2C, GRIK4, GRIN2B GRM2 13/4885GRM3 10/4885MEN1 3213/4885
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C GRM2 6/4885GRM3 23/4885MEN1 3102/4885
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C GRM2 7/4885GRM3 23/4885MEN1 3095/4885
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C GRM2 7/4885GRM3 23/4885MEN1 3095/4885
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative GRIA3, GRIN3A, GRM3 GRM2 14/4885GRM3 3/4885MEN1 3669/4885

“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.