Sugi Predict

Sugi Predict / Compounds / SCHEMBL232389

SCHEMBL232389

SCHEMBL232389

[CH2]CCCCCCCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HPGD P15428 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.42
▸ PAOX Q6QHF9 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL5390103 1.00 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL230211 1.00 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL231245 1.00 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL231117 1.00 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL7670406 1.00 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL233216 1.00 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL10889066 1.00 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL232859 0.98 KEAP1 (0.58) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL231271 0.91 KEAP1 (0.60) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL9738476 0.88 KEAP1 (0.68) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1

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 15 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
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
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
CN-100582087-C 2-amino-bicyclo [3.1.0] hexane-2, 6-dicarboxylic acid ester derivatives TAISHO PHARMACEUTICAL CO LTD 2010-01-20 — — CN 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-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-25 — — US disclosed
CN-1812960-A 2-amino-bicyclo [3.1.0] hexane-2, 6-dicarboxylic acid ester derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-08-02 — — CN 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 (5 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 KEAP1 3136/4885SMN1; SMN2 3603/4885HPGD 1910/4885
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative GRIN2C, GRIK4, GRIN2B KEAP1 3449/4885SMN1; SMN2 3707/4885HPGD 2201/4885
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C KEAP1 3041/4885SMN1; SMN2 3594/4885HPGD 1861/4885
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C KEAP1 3136/4885SMN1; SMN2 3603/4885HPGD 1910/4885
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C KEAP1 3136/4885SMN1; SMN2 3603/4885HPGD 1910/4885

“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.