SCHEMBL523728

SCHEMBL523728

CCOC(=O)C[C@H]1[C@@H]2CNC[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 2/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL23930670 1.00 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL523536 1.00 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL523537 1.00 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20886058 1.00 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19895654 1.00 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL19895641 0.98 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL23930660 0.98 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL23930661 0.98 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL19895642 0.98 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
Trifluoroacetic Acid SCHEMBL30277063 0.89 GAA (0.33) GAAMGAMSIMGAM2ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203008-A1 3-AZABICYCLOALKYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME LG CHEM, LTD. (KR) 2023-06-29 US disclosed
US-11634410-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors PFIZER INC. (US) 2023-04-25 US disclosed
EP-4134366-A1 3-AZABICYCLOALKYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Lg Chem, Ltd. (KR) 2023-02-15 EP disclosed
WO-2021215765-A1 3-AZABICYCLOALKYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 엘지화학 (KR) 2021-10-28 WO disclosed
US-20210309644-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. (US) 2021-10-07 US disclosed
US-10988463-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors PFIZER INC. (US) 2021-04-27 US disclosed
EP-3397631-B1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER (US) 2021-04-07 EP disclosed
US-20200377482-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. (US) 2020-12-03 US disclosed
US-10787438-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors PFIZER INC. (US) 2020-09-29 US disclosed
US-20200148669-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. (US) 2020-05-14 US disclosed
US-20180037575-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. 2018-02-08 US disclosed
US-20180037575-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. 2018-02-08 US disclosed
US-9809579-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors PFIZER INC. (US) 2017-11-07 US disclosed
US-9809579-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors PFIZER INC. (US) 2017-11-07 US disclosed
WO-2017115205-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. (US) 2017-07-06 WO disclosed
US-20170183328-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. 2017-06-29 US disclosed
US-20170183328-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS PFIZER INC. 2017-06-29 US disclosed
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 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 (10 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-20200148669-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885
US-20210309644-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 GAA 2681/4885MGAM 4105/4885SI 3372/4885
US-11634410-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885
US-10988463-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885
US-20170183328-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885
US-20230203008-A1 3-AZABICYCLOALKYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADCY1, ADCY7 GAA 2413/4885MGAM 3597/4885SI 2978/4885
US-20200377482-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885
US-20180037575-A1 SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885
US-10787438-B2 Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors HK1, GCK, KHK GAA 288/4885MGAM 92/4885SI 81/4885

“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.