SCHEMBL3254358

SCHEMBL3254358

CCOC(=O)C(OC)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 3/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL8770267 0.87 SLC6A2 (0.46) L3MBTL1ALDH1A1NPSR1
SCHEMBL7299583 0.78 HPGD (0.46) L3MBTL1ALDH1A1TSHRGAAKMT2A
SCHEMBL9209640 0.76 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL27638033 0.75 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1TSHRGAA
SCHEMBL380982 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL4680121 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL29998004 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL10080660 0.73 ALDH1A1 (0.46) L3MBTL1ALDH1A1NPSR1TSHRKMT2A
SCHEMBL16785311 0.73
SCHEMBL22495519 0.72 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPSR1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
CN-1826325-A 4,5-dihydro-imidazole as P2X7 ion channel blockers AVENTIS PHARMA INC (US) 2006-08-30 CN disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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 (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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 L3MBTL1 4692/4885ALDH1A1 1913/4885NPSR1 386/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 L3MBTL1 4692/4885ALDH1A1 1913/4885NPSR1 386/4885

“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.