SCHEMBL5658346

SCHEMBL5658346

O=C(NC1CC(=O)c2ncccc2C1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
ACHE P22303 2/20 0.53
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.48
TLR4 O00206 1/20 0.46
EPHX1 P07099 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
NAAA Q02083 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
POLB P06746 1/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL170233 0.83 ALDH1A1 (0.65) CA1CA2ACHEALDH1A1GAA
SCHEMBL5659391 0.82 ALDH1A1 (0.55) CA1CA2ACHEALDH1A1GAA
SCHEMBL5659952 0.80 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL5656745 0.79 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL359650 0.77 ALDH1A1 (0.65) CA1CA2ACHEALDH1A1GAA
SCHEMBL5658832 0.75 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL9490334 0.74 CA1 (0.73) CA1CA2ACHEALDH1A1GAA
SCHEMBL25531048 0.74 ALDH1A1 (0.60) CA1CA2ACHEALDH1A1GAA
SCHEMBL1086370 0.74 ALDH1A1 (0.60) CA1CA2ACHEALDH1A1GAA
SCHEMBL1932815 0.73 ALDH1A1 (0.63) CA1CA2ACHEALDH1A1GAA

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
US-7226942-B2 2-amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
US-7226942-B2 2-amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
US-7226942-B2 2-amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
WO-2006055462-A1 2-AMINO-4-FUNCTIONALIZED TETRALIN DERIVATIVES AND RELATED GLYCOGEN PHOSPHORYLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-26 WO disclosed
US-20060111338-A1 2-Amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-05-25 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-20060111338-A1 2-Amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors PYGM, PYGL, PYGB CA1 4794/4885CA2 4370/4885ACHE 424/4885

“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.