SCHEMBL18716626

SCHEMBL18716626

CCCNCC(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
KDM4C Q9H3R0 1/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
PAOX Q6QHF9 1/20 0.36
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.35
POLB P06746 1/20 0.34
HDAC2 Q92769 1/20 0.34
CNR2 P34972 5/20 0.34
CTSD P07339 1/20 0.33

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
SCHEMBL24927595 0.88 GAA (0.53) GAADPP4ALDH1A1NPC1HDAC2
SCHEMBL8248045 0.83 ALDH1A1 (0.38) GAAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL9965485 0.82 SMN1; SMN2 (0.39) GAADPP4ALDH1A1SMN1; SMN2NPC1
SCHEMBL24927033 0.81 DPP4 (0.44) GAADPP4ALDH1A1SMN1; SMN2NPC1
SCHEMBL18743854 0.81 POLB (0.37) GAAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL8248084 0.79 KDM4E (0.41) GAADPP4ALDH1A1SMN1; SMN2NPC1
SCHEMBL8253762 0.78 ALDH1A1 (0.38) GAAALDH1A1SMN1; SMN2NPC1PAOX
SCHEMBL24926540 0.78 ANPEP (0.36) GAAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL18743857 0.78 ATM (0.47) GAAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL13361637 0.75 PAOX (0.38) GAAKDM4CDPP4PAOXPOLB

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 4 patents. 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
EP-3150598-B1 SUBSTITUTED TROPANE DERIVATIVES TOA EIYO LTD (JP) 2019-02-13 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-3150598-A1 SUBSTITUTED TROPANE DERIVATIVES TOA Eiyo Ltd. (JP) 2017-04-05 EP 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 GAA 1390/4885KDM4C 602/4885DPP4 1642/4885

“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.