SCHEMBL3380286

SCHEMBL3380286

O=C1C=CC(=O)N1CCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 1.00
GSK3B P49841 5/20 1.00
MGLL Q99685 5/20 0.89
FAAH O00519 3/20 0.89
ALDH1A1 P00352 2/20 0.60
PKM P14618 2/20 0.60
ALDH2 P05091 1/20 0.60
ALDH3A1 P30838 1/20 0.60
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSP90AA1 P07900 1/20 0.56
TLR9 Q9NR96 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL3380287 0.92 GSK3A (1.00) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL9816491 0.92 GSK3A (1.00) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL211905 0.88 GSK3A (1.00) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL10717597 0.86 GSK3A (0.87) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL18353726 0.81 GSK3A (0.68) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL10974744 0.80 GSK3A (0.67) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL10973728 0.80 GSK3A (0.67) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL40501 0.78 GSK3A (0.65) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL45050 0.78 TDP1 (0.86) GSK3AGSK3BALDH1A1PKMALDH2
SCHEMBL30371663 0.78 TDP1 (0.86) GSK3AGSK3BALDH1A1PKMALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109627360-B Agglomerated propylene containing thermally reversible crosslinking group and preparation method thereof 江苏中煦聚烯烃研究院有限公司 2021-04-09 CN claimed
CN-110527019-B Bismaleimide resin microsphere and preparation method thereof 北京化工大学 2021-04-02 CN claimed
CN-109627360-A One kind containing thermal reversion crosslinked group polypropylene and preparation method thereof 江苏中煦聚烯烃研究院有限公司 2019-04-16 CN claimed
CN-114853642-A Synthesis method for directly alkylating benzyl position of aromatic compound 西湖大学 2022-08-05 CN disclosed
CN-113880986-A High-temperature high-pressure hydrolysis-resistant bismaleimide resin composition and preparation method and application thereof 中国石油化工股份有限公司 2022-01-04 CN disclosed
CN-111316986-B Application of maleimide compound as chitin synthetase inhibitor 浙江工业大学 2021-10-15 CN disclosed
CN-109627360-B Agglomerated propylene containing thermally reversible crosslinking group and preparation method thereof 江苏中煦聚烯烃研究院有限公司 2021-04-09 CN disclosed
CN-110527019-B Bismaleimide resin microsphere and preparation method thereof 北京化工大学 2021-04-02 CN disclosed
CN-111316986-A Application of maleimide compound as chitin synthetase inhibitor 浙江工业大学 2020-06-23 CN disclosed
CN-109627360-A One kind containing thermal reversion crosslinked group polypropylene and preparation method thereof 江苏中煦聚烯烃研究院有限公司 2019-04-16 CN disclosed
CN-109453167-A Maleimide class compound is preparing the application in Li Shiman protozoon insecticide 浙江工业大学 2019-03-12 CN disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
US-6872737-B2 Heterocyclic inhibitors of glycogen synthase kinase GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-03-29 US disclosed
US-20050014803-A1 Enzyme inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS, A SPAIN CORPORATION 2005-01-20 US disclosed
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-16 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 GSK3A 3405/4885GSK3B 2941/4885MGLL 2627/4885
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885MGLL 3880/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885MGLL 1555/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 GSK3A 2120/4885GSK3B 2300/4885MGLL 4580/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 GSK3A 3405/4885GSK3B 2941/4885MGLL 2627/4885

“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.