SCHEMBL24926382

SCHEMBL24926382

CC(C)[C@@H]1CCCN1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
NR1H2 P55055 4/20 0.34
SLC6A9 P48067 1/20 0.32
ACHE P22303 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
NR1H3 Q13133 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GBA1 P04062 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
SCHEMBL22852538 1.00 HRH3 (0.34) HRH3NR1H2SLC6A9ACHECHRM5
SCHEMBL13257201 0.82 CNR1 (0.39) NR1H2SLC6A9ACHECHRM5ADRA2C
SCHEMBL12658782 0.78 L3MBTL1 (0.40) HRH3SLC6A9
SCHEMBL12299850 0.78 L3MBTL1 (0.40) HRH3SLC6A9
SCHEMBL12658780 0.78 L3MBTL1 (0.40) HRH3SLC6A9
SCHEMBL13416610 0.77 SLC6A9 (0.38) HRH3SLC6A9
SCHEMBL18199163 0.77 SLC6A9 (0.38) HRH3SLC6A9
SCHEMBL13416594 0.75 HRH3 (0.39) HRH3GBA1
SCHEMBL9891853 0.75 HRH3 (0.39) HRH3GBA1
SCHEMBL13015720 0.75 GBA1 (0.45) NR1H2CNR1CNR2GBA1

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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 HRH3 2940/4885NR1H2 3774/4885SLC6A9 622/4885

“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.