SCHEMBL84104

SCHEMBL84104

CC(C)c1ccc(CN)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
LOXL2 Q9Y4K0 3/20 0.55
HRH3 Q9Y5N1 1/20 0.50
PLG P00747 2/20 0.46
KLK1 P06870 2/20 0.46
KLK6 Q92876 2/20 0.46
ABAT P80404 1/20 0.46
HTT P42858 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CSNK2A1 P68400 1/20 0.42
PYCR1 P32322 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PSIP1 O75475 1/20 0.41

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
SCHEMBL28861878 0.93 HRH3 (0.64) IDO1LOXL2HRH3PLGKLK1
SCHEMBL12636171 0.87 ST14 (0.61) IDO1LOXL2
SCHEMBL18232505 0.87 L3MBTL1 (0.54) IDO1LOXL2PLGKLK1KLK6
SCHEMBL16557216 0.83 IDO1 (0.52) IDO1LOXL2PLGKLK1KLK6
SCHEMBL13189390 0.82 ADRB2 (0.52) LOXL2HRH3ABATSLC6A2SLC6A3
SCHEMBL23055189 0.80 HRH3 (0.46) IDO1LOXL2HRH3ABATSLC6A2
SCHEMBL11885824 0.80 SLC6A2 (0.68) SLC6A2SLC6A3TAAR1
SCHEMBL15820761 0.80 SLC6A2 (0.68) SLC6A2SLC6A3TAAR1
SCHEMBL18459578 0.80 SLC6A2 (0.68) SLC6A2SLC6A3TAAR1
SCHEMBL7372727 0.80 ABAT (0.48) LOXL2HRH3PLGKLK1KLK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539277-B 2,4,6, 8-Tetrasubstituted-2, 4,6, 8-tetraazanoradamantan-9-one ethylene glycol 南京理工大学 2024-11-29 CN claimed
CN-114539276-B 2,4,6, 8-Tetrasubstituted-2, 4,6, 8-tetraazaadamantane-9, 10-dione diethylene glycol 南京理工大学 2024-11-29 CN claimed
CN-115286527-B Preparation method and application of nopic acid amide compounds 南京林业大学 2024-09-13 CN claimed
CN-118027102-A Ruthenium complex with enaminone structure, and preparation method and application thereof 中国科学院理化技术研究所 2024-05-14 CN claimed
CN-114381247-B Synthesis of branched epoxy resin pressure-bearing plugging material 西南石油大学 2023-04-25 CN claimed
CN-115286527-A Preparation method and application of nopyl acid amide compounds 南京林业大学 2022-11-04 CN claimed
CN-114539276-A 2,4,6, 8-tetrasubstituted-2, 4,6, 8-tetraazaadamantane-9, 10-dione diethylene glycol 南京理工大学 2022-05-27 CN claimed
CN-114539277-A 2,4,6, 8-tetrasubstituted-2, 4,6, 8-tetraazanoradamantan-9-one ethylene glycol 南京理工大学 2022-05-27 CN claimed
CN-114381247-A Synthesis of branched epoxy resin pressure-bearing plugging material 西南石油大学 2022-04-22 CN claimed
CN-113861225-A Near-infrared emission organic photosensitive molecule, preparation method and application thereof 扬州工业职业技术学院 2021-12-31 CN claimed
CN-102276377-B Method for preparing benzylamine UNIV ZHEJIANG 2013-08-07 CN claimed
US-8017768-B1 Catalitic synthesis of caged polynitramine compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-09-13 US claimed
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
CN-1794989-A N-(((((1,3-thiazol-2-yl)amino)carbonyl)phenyl)sulfonyl)phenylalanine derivatives and related compounds for the treatment of diabetes INST PHARMACEUTICAL DISCOVERY (US) 2006-06-28 CN claimed
CN-1780823-A Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC (JP) 2006-05-31 CN claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
US-5693794-A Caged polynitramine compound THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1997-12-02 US claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GPR119, ABCC1, INSR IDO1 159/4885LOXL2 3562/4885HRH3 1172/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 IDO1 2053/4885LOXL2 2928/4885HRH3 635/4885

“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.