SCHEMBL24927684

SCHEMBL24927684

CC(C)(C)[C@@H]1CCCN1CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.41
GBA1 P04062 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
RORC P51449 1/20 0.33
CYP1A2 P05177 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A9 P48067 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2B6 P20813 1/20 0.31
GRM2 Q14416 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
SCHEMBL9891888 1.00 CHRM5 (0.42) CHRM5ADRA2CACHEGBA1CHRM2
SCHEMBL14663949 0.96 CHRM5 (0.47) CHRM5ADRA2CACHEGBA1CHRM2
SCHEMBL9891854 0.92 CNR1 (0.36) CHRM5ADRA2CACHEGBA1CNR1
SCHEMBL16253048 0.90 CHRM5 (0.39) CHRM5ADRA2CACHEGBA1CHRM2
SCHEMBL9891852 0.84 GBA1 (0.43) GBA1CNR1CNR2
SCHEMBL16253011 0.82 CNR2 (0.44) CHRM5ADRA2CACHEGBA1CNR1
SCHEMBL14665084 0.80 CHRM5 (0.42) CHRM5ADRA2CACHEGBA1CHRM2
SCHEMBL9891892 0.80 NR1H2 (0.34) CNR1CNR2
SCHEMBL9891861 0.78 CNR1 (0.36) GBA1CNR1CNR2
SCHEMBL24037533 0.78 SLC6A9 (0.31) SLC6A9

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 CHRM5 4498/4885ADRA2C 4697/4885ACHE 2207/4885

“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.