SCHEMBL5659952

SCHEMBL5659952

O=C(NC1CCc2ncccc2C1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
ACHE P22303 2/20 0.61
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
TSHR P16473 1/20 0.51
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
TLR4 O00206 1/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2B Q13224 2/20 0.48
EPHX1 P07099 1/20 0.48
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43

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
SCHEMBL9490334 0.84 CA1 (0.73) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722738 0.81 CA1 (0.54) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722569 0.81 CA1 (0.54) CA1CA2ACHEALDH1A1GAA
SCHEMBL170233 0.80 ALDH1A1 (0.65) CA1CA2ACHEALDH1A1GAA
SCHEMBL21855472 0.80 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL5658346 0.80 CA1 (0.53) CA1CA2ACHEALDH1A1GAA
SCHEMBL21855497 0.79 CA1 (0.63) CA1CA2ACHEALDH1A1GAA
SCHEMBL5656745 0.79 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL758357 0.78 ALDH1A1 (0.63) CA1CA2ACHEALDH1A1GAA
SCHEMBL29248505 0.78 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN 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
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.