Sugi Predict

Sugi Predict / Compounds / SCHEMBL1581772

SCHEMBL1581772

SCHEMBL1581772

C#CCC1CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.34
▸ ITGA2B P08514 3/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ MAOB P27338 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ F2R P25116 1/20 0.31
▸ FAAH O00519 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 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
Benzene SCHEMBL27746310 0.96 CYP2C9 (0.37) CYP2C9CYP2C19HTR2BMAPK14MAOB
Chlorobenzene SCHEMBL27766977 0.84 CYP2C9 (0.45) CYP2C9CYP2C19HTR2BMAPK14FAAH
SCHEMBL29889300 0.82 GAA (0.36) ITGB3ITGA2BMAOB
SCHEMBL927687 0.82 EPHX2 (0.40) —
SCHEMBL1773292 0.80 JAK2 (0.33) ITGB3ITGA2BTACR3MEN1KMT2A
SCHEMBL926739 0.78 CXCR3 (0.36) ITGB3ITGA2BMEN1KMT2A
SCHEMBL1187047 0.77 ALDH1A1 (0.31) TACR3
SCHEMBL26923888 0.77 TSHR (0.40) ITGB3ITGA2BHTR2BMAOBBCHE
SCHEMBL926726 0.77 GAA (0.58) L3MBTL1
SCHEMBL3662341 0.77 ACHE (0.58) MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024001839-A1 HETEROAROMATIC RING COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-01-04 — — WO disclosed
CN-116490069-A STAT degradation agent and application thereof 凯麦拉医疗公司 2023-07-25 — — CN disclosed
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 — — US disclosed
US-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 — — US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 — — US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 — — US disclosed
EP-2922550-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2017-04-19 — — EP disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 — — US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 — — US disclosed
EP-3121175-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-25 — — EP disclosed
WO-2014081644-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-05-30 — — WO disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 — — US disclosed
CN-101068825-B Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity Univ Virginia Patent Found 2013-05-08 — — CN disclosed
EP-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 — — EP disclosed
CN-101490075-A Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH LLC (US) 2009-07-22 — — CN disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 — — US disclosed
CN-101068825-A Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity UNIV VIRGINIA (US) 2007-11-07 — — CN disclosed
US-20070021405-A1 ARYL- AND HETEROARYLPIPERIDINECARBOXYLATE-DERIVATIVES METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 — — US disclosed
EP-1720872-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 — — EP disclosed
WO-2005090347-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 — — WO 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-20070021405-A1 ARYL- AND HETEROARYLPIPERIDINECARBOXYLATE-DERIVATIVES METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, HRH2 ITGB3 4069/4885ITGA2B 4472/4885CYP2C9 55/4885
US-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 ITGB3 2735/4885ITGA2B 3204/4885CYP2C9 898/4885
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 ITGB3 2735/4885ITGA2B 3204/4885CYP2C9 898/4885
US-10017500-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 ITGB3 2735/4885ITGA2B 3204/4885CYP2C9 898/4885
US-10954219-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 ITGB3 2735/4885ITGA2B 3204/4885CYP2C9 898/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 ITGB3 4144/4885ITGA2B 3785/4885CYP2C9 1779/4885

“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.