SCHEMBL22210657

SCHEMBL22210657

NCCCN(CCCN)CCCNC1CCCCCCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.41
CXCL12 P48061 1/20 0.41
HRH4 Q9H3N8 4/20 0.36
HRH3 Q9Y5N1 4/20 0.36
RAD52 P43351 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
Hydrochloric Acid SCHEMBL10938001 0.84 CXCR4 (0.40) CXCR4CXCL12HRH4HRH3KDM4E
SCHEMBL10938415 0.84 CXCR4 (0.48) CXCR4CXCL12HRH4HRH3RAD52
SCHEMBL9417530 0.84 CXCR4 (0.48) CXCR4CXCL12HRH4HRH3RAD52
SCHEMBL10937094 0.84 CXCR4 (0.48) CXCR4CXCL12HRH4HRH3RAD52
SCHEMBL27221 0.84 CXCR4 (0.48) CXCR4CXCL12HRH4HRH3RAD52
Ammonia Solution, Strong SCHEMBL9000034 0.82 CXCR4 (0.47) CXCR4CXCL12HRH4HRH3RAD52
Hydrochloric Acid SCHEMBL11558213 0.82 CXCR4 (0.47) CXCR4CXCL12HRH4HRH3RAD52
SCHEMBL4243544 0.82 CXCR4 (0.47) CXCR4CXCL12HRH4HRH3RAD52
Hydrochloric Acid SCHEMBL9714223 0.82 CXCR4 (0.47) CXCR4CXCL12HRH4HRH3RAD52
SCHEMBL4740693 0.82 CXCR4 (0.47) CXCR4CXCL12HRH4HRH3RAD52

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-11820726-B2 Motuporamine derivatives as antimicrobial agents and antibiotic enhancers against resistant gram-negative bacteria UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-21 US disclosed
US-11820726-B2 Motuporamine derivatives as antimicrobial agents and antibiotic enhancers against resistant gram-negative bacteria UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-21 US disclosed
US-20210002206-A1 MOTUPORAMINE DERIVATIVES AS ANTIMICROBIAL AGENTS AND ANTIBIOTIC ENHANCERS AGAINST RESISTANT GRAM-NEGATIVE BACTERIA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-01-07 US disclosed
US-10710957-B2 Motuporamine derivatives as antimicrobial agents and antibiotic enhancers against resistant gram-negative bacteria UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-07-14 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 (3 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-11820726-B2 Motuporamine derivatives as antimicrobial agents and antibiotic enhancers against resistant gram-negative bacteria MGAM, PGLS, NISCH CXCR4 4565/4885CXCL12 3987/4885HRH4 1569/4885
US-20210002206-A1 MOTUPORAMINE DERIVATIVES AS ANTIMICROBIAL AGENTS AND ANTIBIOTIC ENHANCERS AGAINST RESISTANT GRAM-NEGATIVE BACTERIA MGAM, PGLS, NISCH CXCR4 4565/4885CXCL12 3987/4885HRH4 1569/4885
US-10710957-B2 Motuporamine derivatives as antimicrobial agents and antibiotic enhancers against resistant gram-negative bacteria MGAM, PGLS, NISCH CXCR4 4565/4885CXCL12 3987/4885HRH4 1569/4885

“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.