SCHEMBL21482222

SCHEMBL21482222

COC[C@H]1CCN(C/C=C/C(=O)S)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCHR1 Q99705 1/20 0.31
CHRM3 P20309 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 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
SCHEMBL20711845 0.84 ALDH1A1 (0.32) SLC6A11TDP1L3MBTL1MCHR1CHRM3
SCHEMBL21482242 0.84 CHRM3 (0.33) SLC6A11TDP1L3MBTL1MCHR1CHRM3
SCHEMBL12188157 0.68 CHRM3 (0.41) L3MBTL1CHRM3ALDH1A1MAPT
SCHEMBL21429859 0.68 CHRM3 (0.41) L3MBTL1CHRM3ALDH1A1MAPT
SCHEMBL12522315 0.67 RAB9A (0.40)
SCHEMBL19265714 0.67 RAB9A (0.40)
SCHEMBL19190098 0.67 SLC6A11 (0.36) SLC6A11MCHR1
SCHEMBL16901707 0.67 SLC6A11 (0.36) SLC6A11MCHR1
SCHEMBL16901708 0.67 SLC6A11 (0.36) SLC6A11MCHR1
SCHEMBL19026920 0.67 MAPT (0.38) L3MBTL1ALDH1A1MAPT

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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 SLC6A11 2254/4885TDP1 3099/4885L3MBTL1 4649/4885

“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.