SCHEMBL18360283

SCHEMBL18360283

COc1cccc(C(=O)C2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 5/20 0.62
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
PARP1 P09874 1/20 0.57
HSD11B1 P28845 1/20 0.56
MGLL Q99685 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53

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
SCHEMBL31636008 0.93 CES2 (0.65) KDM2BCES2CES1PARP1HSD11B1
SCHEMBL7309424 0.93 CES2 (0.65) KDM2BCES2CES1PARP1HSD11B1
SCHEMBL6208933 0.87 CES2 (0.57) KDM2BCES2CES1PARP1HSD11B1
Hydrochloric Acid SCHEMBL16432038 0.86 HTR2C (0.57) KDM2BCES2CES1PARP1HSD11B1
SCHEMBL30771226 0.84 MGLL (0.62) KDM2BCES2CES1PARP1HSD11B1
SCHEMBL5210032 0.84 MGLL (0.62) KDM2BCES2CES1PARP1HSD11B1
SCHEMBL4772361 0.84 KDM2B (0.54) KDM2BCES2CES1PARP1HSD11B1
Hydrochloric Acid SCHEMBL17913736 0.83 KDM2B (0.53) KDM2BCES2CES1PARP1HSD11B1
SCHEMBL200723 0.82 KDM2B (0.58) KDM2BMEN1KMT2APOLBNPC1
SCHEMBL14638260 0.82 MGLL (0.66) KDM2BCES2CES1HSD11B1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059745-A2 N-METHYL-D-ASPARTATE RECEPTOR (NMDAR) ANTAGONISTS AND USES THEREOF BEXSON BIOMEDICAL, INC. (US) 2024-03-21 WO disclosed
EP-3112873-B1 METHOXETAMINE ASSAY RANDOX LABORATORIES LTD (GB) 2021-11-24 EP disclosed
WO-2019077332-A1 THERAPEUTIC COMPOUNDS SMALL PHARMA LTD (GB) 2019-04-25 WO disclosed
WO-2019077332-A1 THERAPEUTIC COMPOUNDS SMALL PHARMA LTD (GB) 2019-04-25 WO disclosed
US-10254297-B2 Assay for methoxetamine RANDOX LABORATORIES LTD. (GB) 2019-04-09 US disclosed
US-20170003308-A1 ASSAY FOR METHOXETAMINE NORTHERN BANK LIMITED (IE) 2017-01-05 US disclosed
EP-3112873-A1 METHOXETAMINE ASSAY Randox Laboratories Ltd. (GB) 2017-01-04 EP 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-10254297-B2 Assay for methoxetamine PNMT, INMT, HNMT KDM2B 177/4885CES2 210/4885CES1 909/4885
US-20170003308-A1 ASSAY FOR METHOXETAMINE PNMT, INMT, HNMT KDM2B 177/4885CES2 210/4885CES1 909/4885

“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.