SCHEMBL10299522

SCHEMBL10299522

CN1C(=O)CC2(CCC2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 10/20 0.36
ADRA1B P35368 6/20 0.36
ADRA1A P35348 3/20 0.36
CYP11B2 P19099 1/20 0.35
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34

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
SCHEMBL7709836 0.95 SMN1; SMN2 (0.47) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL14820495 0.93 SMN1; SMN2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL12601432 0.90 SMN1; SMN2 (0.37) SMN1; SMN2HTR1AADRA1BADRA1ACYP11B2
SCHEMBL14806816 0.81 SMN1; SMN2 (0.41) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL13339631 0.79 TSHR (0.33) SMN1; SMN2
SCHEMBL14806790 0.79 SMN1; SMN2 (0.40) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL10299246 0.75 HTR1A (0.40) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL12600977 0.72 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL761687 0.70 MEN1 (0.39) HTR1ADRD2
SCHEMBL24987395 0.70 SMN1; SMN2 (0.33) SMN1; SMN2HTR1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221765-B2 Inhibition and dispersion of bacterial biofilms with benzimidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-12-29 US disclosed
US-20120171129-A1 Inhibition and Dispersion of Bacterial Biofilms with Benzimidazole Derivatives NORTH CAROLINA STATE UNIVERSITY 2012-07-05 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 (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-20120171129-A1 Inhibition and Dispersion of Bacterial Biofilms with Benzimidazole Derivatives SBDS, DBI, BRI3BP SMN1; SMN2 4867/4885HTR1A 4159/4885ADRA1B 3713/4885

“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.