SCHEMBL13783333

SCHEMBL13783333

CC1CCC(C(=O)N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.36
EPHX1 P07099 1/20 0.34
BCHE P06276 1/20 0.34
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
MME P08473 1/20 0.33
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.31
HSD11B1 P28845 1/20 0.31
CYP46A1 Q9Y6A2 2/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL14492218 1.00 GLI1 (0.36) GLI1EPHX1BCHEDPP4MAPT
SCHEMBL8181948 1.00 GLI1 (0.36) GLI1EPHX1BCHEDPP4MAPT
SCHEMBL14340784 0.89 EPHX1 (0.41) GLI1EPHX1BCHECTSBCTSS
SCHEMBL21545609 0.89 GLI1 (0.41) GLI1BCHEDPP4MAPTMME
SCHEMBL197080 0.89
SCHEMBL13841189 0.86 DPP4 (0.35) GLI1EPHX1BCHEDPP4MAPT
SCHEMBL24511671 0.80 GLI1 (0.36) GLI1BCHEDPP4MMECYP2D6
SCHEMBL2950685 0.80 LMNA (0.43) GLI1BCHEDPP4MMEHTT
SCHEMBL9128397 0.80 GLI1 (0.36) GLI1BCHEDPP4MMECYP2D6
SCHEMBL2950683 0.80 LMNA (0.43) GLI1BCHEDPP4MMEHTT

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
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
WO-2022081912-A2 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-21 WO disclosed
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 US disclosed
EP-3782994-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology, Inc. (US) 2021-02-24 EP disclosed
EP-3390395-B1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY INC (US) 2020-09-09 EP disclosed
US-10039843-B2 Paramagnetic solid lipid nanoparticles (pSLNs) containing metal amphiphilic complexes for MRI BRACCO IMAGING S.P.A. (IT) 2018-08-07 US disclosed
WO-2017103611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS REDX PHARMA PLC (GB) 2017-06-22 WO disclosed
US-20150258221-A1 Paramagnetic Solid Lipid Nanoparticles (pSLNs) Containing Metal Amphiphilic Complexes For MRI BRACCO IMAGING S.P.A. (IT) 2015-09-17 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BRACCO IMAGING S.P.A. (IT) 2015-02-05 US disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-28 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 (9 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 GLI1 4087/4885EPHX1 829/4885BCHE 4331/4885
US-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BAZ2A, BAZ2B, BAZ1A GLI1 3145/4885EPHX1 3360/4885BCHE 2645/4885
US-10039843-B2 Paramagnetic solid lipid nanoparticles (pSLNs) containing metal amphiphilic complexes for MRI PLIN3, PEX3, SLC39A3 GLI1 1430/4885EPHX1 3064/4885BCHE 1047/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 GLI1 89/4885EPHX1 4387/4885BCHE 4534/4885
US-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF MC5R, MC4R, OPRD1 GLI1 4420/4885EPHX1 1192/4885BCHE 2429/4885
US-20150258221-A1 Paramagnetic Solid Lipid Nanoparticles (pSLNs) Containing Metal Amphiphilic Complexes For MRI PLIN3, PEX3, SLC39A3 GLI1 1430/4885EPHX1 3064/4885BCHE 1047/4885
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR GLI1 1318/4885EPHX1 1204/4885BCHE 3960/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 GLI1 89/4885EPHX1 4387/4885BCHE 4534/4885
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST GLI1 817/4885EPHX1 2219/4885BCHE 4607/4885

“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.