SCHEMBL1620937

SCHEMBL1620937

CC(C)(C)OC(=O)C(Br)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CTSL P07711 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 3/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PREP P48147 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FDPS P14324 2/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL22263552 0.81 HRH3 (0.37) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL18289862 0.79 HPGD (0.39) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL1447519 0.79 HPGD (0.39) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL29086465 0.78 HPGD (0.38) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL7407007 0.77 HPGD (0.37) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL79826 0.77 HPGD (0.37) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL3174465 0.76 HPGD (0.37) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL4230637 0.75 MAPT (0.39) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL4413237 0.75 HPGD (0.36) HPGDCTSLMEN1ALDH1A1LMNA
SCHEMBL10726945 0.74 HPGD (0.35) HPGDCTSLMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724836-A GPX4 protein degrading agent, preparation method and application thereof, and anti-tumor cell medicine 北京大学 2023-03-03 CN disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 HPGD 1190/4885CTSL 3324/4885MEN1 4477/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HPGD 662/4885CTSL 3115/4885MEN1 4811/4885

“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.