SCHEMBL3887029

SCHEMBL3887029

CC(C)(C)OC(=O)[C@H]1C[C@H](CN)[C@H](O)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.34
▸ GABRR1 P24046 4/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ GABRR2 P28476 1/20 0.33
▸ NR1H2 P55055 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BTK Q06187 1/20 0.30

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
SCHEMBL23562125 0.87 HRH3 (0.35) HRH3GABRR1CHRM2CHRM1CHRM3
SCHEMBL5722384 0.83 SLC6A12 (0.34) HRH3GABRR1CHRM2CHRM1CHRM3
SCHEMBL13436048 0.82 CHRNB2 (0.43) GABRR1GABRR2
SCHEMBL3547877 0.82 CHRNB2 (0.43) GABRR1GABRR2
SCHEMBL13436070 0.82 CHRNB2 (0.43) GABRR1GABRR2
SCHEMBL3547882 0.82 CHRNB2 (0.43) GABRR1GABRR2
SCHEMBL31368171 0.78 MAPK1 (0.38) HRH3CHRM2CHRM1CHRM3NR1H2
SCHEMBL1298062 0.77 HRH3 (0.43) HRH3CHRM2CHRM1CHRM3NR1H2
SCHEMBL1965621 0.75 CHRM2 (0.48) HRH3CHRM2CHRM1CHRM3NR1H2
SCHEMBL3958434 0.75 CHRM2 (0.48) HRH3CHRM2CHRM1CHRM3NR1H2

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
US-7605169-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-10-20 — — US disclosed
US-7605169-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-10-20 — — US disclosed
US-7605169-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-10-20 — — US disclosed
US-20080009483-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-01-10 — — US disclosed
US-20080009483-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-01-10 — — US disclosed
US-20080009483-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-01-10 — — 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-20080009483-A1 Antibacterial Agents NRDC, NISCH, NAPRT HRH3 213/4885GABRR1 729/4885CHRM2 3145/4885

“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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