SCHEMBL23720104

SCHEMBL23720104

O=S(=O)(c1cccc(-c2cccc([C@H]3C(C4CC4)C3(c3ccccc3)S(=O)(=O)c3ccccc3)c2)c1)C1(c2ccccc2)C(CCN2CCCCC2)[C@@H]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.36
CNR1 P21554 1/20 0.33
SLC2A1 P11166 1/20 0.32
BACE1 P56817 2/20 0.31
HTR1A P08908 3/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
HTR1B P28222 1/20 0.31
DRD3 P35462 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
SCHEMBL23720208 0.84 HTR7 (0.47) HTR7
SCHEMBL23720203 0.84 HTR7 (0.47) HTR7
SCHEMBL23720156 0.75 GAA (0.38) HTR7
SCHEMBL23720100 0.66 GAA (0.36) HTR7HTR1AHTR2A
SCHEMBL23720025 0.66 GAA (0.36) HTR7HTR1AHTR2A
SCHEMBL23720027 0.63 TDP1 (0.36) HTR7
SCHEMBL23720151 0.63 TDP1 (0.36) HTR7
SCHEMBL23720153 0.63 TDP1 (0.36) HTR7
SCHEMBL23720202 0.61 HSD11B1 (0.32) HTR7
SCHEMBL23720238 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 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-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 HTR7 3034/4885CNR1 375/4885SLC2A1 3168/4885

“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.