SCHEMBL4586752

SCHEMBL4586752

CP(=O)(O)[C@@H]1CC[C@@H](N)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABBR1 Q9UBS5 3/20 0.35
MMP8 P22894 2/20 0.32
MMP1 P03956 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL15211136 1.00 GABBR1 (0.35) GABBR1MMP8MMP1ALDH1A1CA2
SCHEMBL6278517 1.00 GABBR1 (0.35) GABBR1MMP8MMP1ALDH1A1CA2
SCHEMBL4255645 0.81 S1PR4 (0.37)
SCHEMBL20843659 0.81 S1PR4 (0.37)
SCHEMBL23548256 0.81
SCHEMBL11287808 0.77 CA2 (0.44) GABBR1MMP8CA2MMP2
SCHEMBL4585609 0.74 CA2 (0.32) CA2
SCHEMBL4585664 0.74 S1PR4 (0.34)
SCHEMBL4585668 0.74 S1PR4 (0.34)
SCHEMBL4588056 0.74 S1PR4 (0.34)

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
EP-1458669-A4 NEUOROLOGICALLY-ACTIVE COMPOUNDS UNIV SYDNEY (AU) 2008-10-29 EP disclosed
US-6962907-B2 Neurologically-active compounds THE UNIVERSITY OF SYDNEY (AU) 2005-11-08 US disclosed
US-20050004083-A1 Neurologically-active compounds NEURO THERAPEUTICS LIMITED (AU) 2005-01-06 US disclosed
EP-1458669-A1 NEUOROLOGICALLY-ACTIVE COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2004-09-22 EP disclosed
WO-2003045897-A1 NEOROLOGICALLY-ACTIVE COMPOUNDS UNIVERSITY OF SYDNEY (AU) 2003-06-05 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-20050004083-A1 Neurologically-active compounds GABRA2, GABRA5, GABRE GABBR1 17/4885MMP8 4137/4885MMP1 4534/4885

“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.