SCHEMBL4044516

SCHEMBL4044516

NC(=O)C1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PREP P48147 2/20 0.32
FAP Q12884 2/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.31
HTT P42858 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
SARM1 Q6SZW1 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
SIRT4 Q9Y6E7 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
SCHEMBL4042835 0.87 HPGD (0.42) ALDH1A1LMNAHPGD
SCHEMBL4046437 0.84 FKBP1A (0.41)
SCHEMBL4042101 0.83 CTSL (0.33) CNR2L3MBTL1
SCHEMBL6208973 0.80 TBXAS1 (0.35) CNR2ALDH1A1L3MBTL1PREPFAP
SCHEMBL4043534 0.80 CTSK (0.39) ALDH1A1PREPFAPDPP4DPP8
SCHEMBL4047201 0.79 CTSK (0.43)
SCHEMBL4042029 0.79 GPR132 (0.38) CNR2ALDH1A1PREPFAPDPP4
SCHEMBL4040334 0.78 TBXAS1 (0.36) CNR2ALDH1A1L3MBTL1PREPFAP
SCHEMBL4043495 0.77 PARP1 (0.38) ALDH1A1
SCHEMBL6209880 0.77 PREP (0.35) CNR2ALDH1A1L3MBTL1PREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CNR2 395/4885ALDH1A1 4151/4885L3MBTL1 3007/4885

“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.