SCHEMBL5656745

SCHEMBL5656745

O=C(NC1Cc2cccnc2C(O)C1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
EPHX1 P07099 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
TLR4 O00206 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
CPB1 P15086 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL5658832 0.85 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL170233 0.79 ALDH1A1 (0.65) CA1CA2ACHEALDH1A1GAA
SCHEMBL5658346 0.79 CA1 (0.53) CA1CA2ACHEALDH1A1GAA
SCHEMBL5659952 0.79 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL5797401 0.77 MTNR1A (0.48) CA1CA2
SCHEMBL15221619 0.74 ALDH1A1 (0.65) CA1CA2ALDH1A1GAATSHR
SCHEMBL15221598 0.74 ALDH1A1 (0.65) CA1CA2ALDH1A1GAATSHR
SCHEMBL15428355 0.74 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL2621442 0.74 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL8548058 0.74 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL

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.