SCHEMBL6520647

SCHEMBL6520647

COC(=O)[C@@H]1CCN[C@@H](C(=O)O)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL6519671 1.00 CYP1A2 (0.46) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
Hydrochloric Acid SCHEMBL6520643 0.98 CYP1A2 (0.44) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
Hydrochloric Acid SCHEMBL6519668 0.98 CYP1A2 (0.44) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
SCHEMBL8914819 0.89 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21987337 0.86 CYP1A2 (0.41) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
SCHEMBL7424981 0.81 CYP2D6 (0.64) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
SCHEMBL7424985 0.81 CYP2D6 (0.64) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
SCHEMBL7424991 0.81 CYP2D6 (0.64) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
SCHEMBL27702389 0.81 CYP1A2 (0.42) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
SCHEMBL4841462 0.81 CYP1A2 (0.61) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3

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-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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 (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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL CYP1A2 1682/4885ALOX15 145/4885CYP2C19 2608/4885

“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.