Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748523

SCHEMBL1748523

SCHEMBL1748523

CC(C)(C)OC(=O)N1CCC(Nc2ccnc(Cl)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NOS2 P35228 5/20 0.53
▸ NOS1 P29475 4/20 0.53
▸ DDB1 Q16531 1/20 0.51
▸ CRBN Q96SW2 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ NOS3 P29474 2/20 0.49
▸ ACHE P22303 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ PRMT5 O14744 1/20 0.48
▸ GPR119 Q8TDV5 4/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ CNR1 P21554 1/20 0.47

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
SCHEMBL30000193 1.00 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2331813 0.93 USP30 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2331810 0.93 USP30 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14672575 0.87 ANO1 (0.47) DDB1CRBNACHEPOLBCNR1
SCHEMBL14672574 0.87 ANO1 (0.47) DDB1CRBNACHEPOLBCNR1
SCHEMBL17107745 0.87 CYP11B2 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3789071 0.86 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30874523 0.86 DDB1 (0.47) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4646351 0.84 KDM4E (0.53) MAPTSYKACHECCNT1PRMT5
SCHEMBL20449715 0.84 NOS2 (0.74) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002348-A1 GLP-1 Receptor Agonist and Use Thereof ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-01-05 — — US disclosed
US-20230002348-A1 GLP-1 Receptor Agonist and Use Thereof ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-01-05 — — US disclosed
EP-4059929-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2022-09-21 — — EP disclosed
CN-114728940-A GLP-1 receptor agonists and uses thereof 日东制药株式会社 2022-07-08 — — CN disclosed
WO-2021096284-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF 일동제약(주) 2021-05-20 — — WO disclosed
EP-3197885-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2020-11-18 — — EP disclosed
CN-108822110-B Aromatic heterocycle-containing a, β -unsaturated ketone compound and preparation method and application thereof 山东大学 2020-03-13 — — CN disclosed
US-9926298-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-03-27 — — US disclosed
US-9926298-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-03-27 — — US disclosed
US-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-01-11 — — US disclosed
US-9862703-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-01-09 — — US disclosed
WO-2016048861-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-03-31 — — WO disclosed
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NAT HEALTH RESEARCH INSTITUTES (TW) 2016-03-24 — — US disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 — — US disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 — — EP disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 — — US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 — — US disclosed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 — — EP disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 — — US disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — 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 (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-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 ALDH1A1 66/4885NPC1 3184/4885MAPT 4808/4885
US-20230002348-A1 GLP-1 Receptor Agonist and Use Thereof GLP1R, GIPR, GPR119 ALDH1A1 1071/4885NPC1 1059/4885MAPT 4072/4885
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885NPC1 2475/4885MAPT 4098/4885
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 ALDH1A1 66/4885NPC1 3184/4885MAPT 4808/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885NPC1 2475/4885MAPT 4098/4885

“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.