SCHEMBL1639877

SCHEMBL1639877

O=C(c1cccc(Br)c1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
MGLL Q99685 1/20 0.57
PARP1 P09874 1/20 0.55
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL3 Q96JM7 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
MBTD1 Q05BQ5 2/20 0.47
C1S P09871 1/20 0.46

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
SCHEMBL18707034 0.91 MEN1 (0.59) HSD11B1MGLLPARP1ALDH1A1TP53
SCHEMBL14067799 0.86 NPSR1 (0.49) HSD11B1MGLLALDH1A1MEN1KMT2A
SCHEMBL29466661 0.82 HSD11B1 (0.46) HSD11B1MGLLPARP1ALDH1A1TP53
SCHEMBL30213440 0.81 HSD11B1 (0.48) HSD11B1MGLLPARP1ALDH1A1TP53
SCHEMBL26145004 0.81 HSD11B1 (0.48) HSD11B1MGLLPARP1ALDH1A1TP53
SCHEMBL25182407 0.78 C1S (0.47) HSD11B1MGLLPARP1ALDH1A1TP53
SCHEMBL30317750 0.78 MGLL (0.62) MGLLPARP1
SCHEMBL31286068 0.78 KMO (0.51) MGLLHPGDMEN1KMT2AL3MBTL3
SCHEMBL16553953 0.78 MGLL (0.62) MGLLPARP1
SCHEMBL28625290 0.78 KMO (0.51) MGLLHPGDMEN1KMT2AL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151037-A1 GPR40 AGONISTS KALLYOPE, INC. 2023-05-18 US disclosed
US-20230151037-A1 GPR40 AGONISTS KALLYOPE, INC. 2023-05-18 US disclosed
US-20230151037-A1 GPR40 AGONISTS KALLYOPE, INC. 2023-05-18 US disclosed
CN-115867536-A GPR40 agonists 卡尔优普公司 2023-03-28 CN disclosed
EP-4110760-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2023-01-04 EP disclosed
WO-2022221704-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. (US) 2022-10-20 WO disclosed
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 US disclosed
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 US disclosed
EP-3935051-A1 SMALL MOLECULE MODULATORS OF IL-17 Leo Pharma A/S (DK) 2022-01-12 EP disclosed
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 US disclosed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US disclosed
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 WO disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 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 (8 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-20230151037-A1 GPR40 AGONISTS GPR119, GPR65, GLP1R HSD11B1 1033/4885MGLL 315/4885PARP1 3057/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 HSD11B1 3878/4885MGLL 2047/4885PARP1 3345/4885
US-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 HSD11B1 335/4885MGLL 4135/4885PARP1 4301/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 HSD11B1 1117/4885MGLL 533/4885PARP1 4809/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 HSD11B1 3878/4885MGLL 2047/4885PARP1 3345/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 HSD11B1 1182/4885MGLL 3201/4885PARP1 2517/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 HSD11B1 3139/4885MGLL 2906/4885PARP1 2601/4885
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 HSD11B1 387/4885MGLL 3954/4885PARP1 4397/4885

“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.