SCHEMBL5697125

SCHEMBL5697125

CC1CCCC2CNC(C(=O)O)C12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 6/20 0.56
SLC1A1 P43005 1/20 0.56
PKM P14618 1/20 0.44
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BLM P54132 1/20 0.35
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32

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
SCHEMBL6446003 1.00 SLC1A2 (0.56) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL10756908 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL15184252 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL2412292 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL15613797 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL501299 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL2365101 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL15676663 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
SCHEMBL13447407 0.73 PKM (0.61) SLC1A2SLC1A1PKMCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL500436 0.72 PKM (0.59) SLC1A2SLC1A1PKMCYP1A2ALDH1A1

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
EP-1615886-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP claimed
WO-2004092134-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO claimed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
EP-1615886-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
WO-2004092134-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 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-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 SLC1A2 1631/4885SLC1A1 1989/4885PKM 2277/4885

“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.