SCHEMBL2759042

SCHEMBL2759042

BN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL669445 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
SCHEMBL669444 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
Hydrochloric Acid SCHEMBL30634622 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
SCHEMBL3378642 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
SCHEMBL3378638 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
Water SCHEMBL8430675 0.84 CPB2 (0.32) CPB2CPB1
SCHEMBL1666632 0.84 CPB2 (0.36) CPB2CPB1SMN1; SMN2
SCHEMBL4292046 0.84 CPB2 (0.33) CPB2CPB1SMN1; SMN2
SCHEMBL1073717 0.84 ITGB2 (0.36) CPB2CPB1
SCHEMBL5542778 0.84 CPB2 (0.33) CPB2CPB1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — 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 (2 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CPB2 1771/4885CPB1 1987/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CPB2 1771/4885CPB1 1987/4885SMN1; SMN2 252/4885

“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.

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