SCHEMBL24927586

SCHEMBL24927586

CCC(C)(C)CN(C)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
ADH1A P07327 4/20 0.35
ADH1C P00326 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ABCB11 O95342 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
CYP1A2 P05177 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
SCHEMBL9283512 0.80 HRH3 (0.42) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL9283576 0.78 HRH3 (0.39) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL15387169 0.77 HRH3 (0.40) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL20096008 0.77 HRH4 (0.40) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL18523207 0.75 ADH1C (0.35) ADH1AADH1CKDM4EALDH1A1CYP2D6
SCHEMBL9283514 0.75 HRH4 (0.36) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL12065407 0.74 HRH3 (0.41) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL170201 0.72 ADH1A (0.48) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL20197642 0.72 ADH1A (0.48) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL21180049 0.72 ADH1A (0.48) HRH3HRH4ADH1AADH1CKDM4E

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 2940/4885HRH4 2677/4885ADH1A 4539/4885

“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.