Sugi Predict

Sugi Predict / Compounds / SCHEMBL232123

SCHEMBL232123

SCHEMBL232123

CCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](NCc3ccc(Cl)c(Cl)c3)[C@@](NC(=O)OC(C)(C)C)(C(=O)OCC)[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GRM2 Q14416 2/20 0.36
▸ GRM3 Q14832 2/20 0.36
▸ SSTR3 P32745 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ OPRK1 P41145 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31

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
SCHEMBL14932087 1.00 TSHR (0.41) TSHRSMN1; SMN2GRM2GRM3SSTR3
SCHEMBL231855 0.85 MAPT (0.36) TSHRALDH1A1OPRM1
SCHEMBL233581 0.81 GRM2 (0.48) TSHRSMN1; SMN2GRM2GRM3SSTR3
SCHEMBL4964987 0.77 GRM2 (0.44) TSHRSMN1; SMN2GRM2GRM3KDM4E
SCHEMBL231802 0.75 GRM2 (0.36) TSHRGRM2GRM3ALDH1A1
SCHEMBL14931828 0.75 GRM2 (0.36) TSHRGRM2GRM3ALDH1A1
SCHEMBL232862 0.74 GRM2 (0.35) TSHRGRM2GRM3ALDH1A1
SCHEMBL233391 0.72 GRM2 (0.47) TSHRSMN1; SMN2GRM2GRM3KDM4E
SCHEMBL14931850 0.72 GRM2 (0.47) TSHRSMN1; SMN2GRM2GRM3KDM4E
SCHEMBL14932105 0.69 GRM2 (0.38) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287147-B1 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO LTD (JP) 2013-05-15 — — EP disclosed
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 TSHR 348/4885SMN1; SMN2 3603/4885GRM2 7/4885
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative GRIN2C, GRIK4, GRIN2B TSHR 343/4885SMN1; SMN2 3707/4885GRM2 13/4885
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C TSHR 342/4885SMN1; SMN2 3594/4885GRM2 6/4885
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C TSHR 348/4885SMN1; SMN2 3603/4885GRM2 7/4885
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C TSHR 348/4885SMN1; SMN2 3603/4885GRM2 7/4885
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative GRIA3, GRIN3A, GRM3 TSHR 418/4885SMN1; SMN2 1475/4885GRM2 14/4885

“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.