SCHEMBL26708792

SCHEMBL26708792

c1cncc(CNCCN2CCNCc3cccc(n3)CNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CYP3A4 P08684 1/20 0.55
CXCR4 P61073 2/20 0.51
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 1/20 0.45
CYP1A2 P05177 1/20 0.44
HTR6 P50406 1/20 0.43
DPP7 Q9UHL4 1/20 0.42
SCN8A Q9UQD0 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL8018941 0.88 CYP2D6 (0.70) CYP2D6CYP3A4CXCR4ALDH1A1ALOX15
SCHEMBL26708819 0.83 CYP3A4 (0.67) CYP2D6CYP3A4CXCR4ALDH1A1ALOX15
SCHEMBL26708921 0.81 L3MBTL1 (0.59) CYP2D6CYP3A4CXCR4ALDH1A1ALOX15
SCHEMBL5595366 0.81 CYP2D6 (0.59) CYP2D6CYP3A4ALDH1A1ALOX15TSHR
SCHEMBL26708784 0.78 L3MBTL1 (0.77) CYP2D6CYP3A4CXCR4ALDH1A1ALOX15
SCHEMBL6538443 0.78 DPP7 (0.65) CYP2D6CYP3A4ALDH1A1CHRM2CYP1A2
SCHEMBL26708829 0.77 L3MBTL1 (0.51) CYP2D6CYP3A4CXCR4ALDH1A1ALOX15
SCHEMBL26143789 0.76 L3MBTL1 (0.61) CYP2D6CYP3A4CXCR4ALDH1A1ALOX15
SCHEMBL4048999 0.75 CYP2D6 (0.59) CYP2D6CYP3A4ALDH1A1L3MBTL1CHRM2
SCHEMBL26708798 0.75 CXCR4 (0.48) CYP2D6CYP3A4CXCR4ALDH1A1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA UNIVERSIDAD DE GRANADA (ES) 2023-11-02 US disclosed
US-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA UNIVERSIDAD DE GRANADA (ES) 2023-11-02 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-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA SRM, SMS, ARG2 CYP2D6 2218/4885CYP3A4 3155/4885CXCR4 2868/4885

“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.