SCHEMBL26436593

SCHEMBL26436593

CSCN1CCN(c2cnccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.51
HRH3 Q9Y5N1 8/20 0.50
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD4 P21917 2/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
SLC6A7 Q99884 1/20 0.43

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
SCHEMBL10294622 0.81 SORD (0.51) SORDHRH3KDM4ELMNAL3MBTL1
SCHEMBL31140251 0.79 HRH3 (0.55) SORDHRH3KDM4EDRD2DRD3
SCHEMBL23374607 0.79 HRH3 (0.55) SORDHRH3KDM4EDRD2DRD3
SCHEMBL9558287 0.78 SORD (0.51) SORDHRH3KDM4ELMNAL3MBTL1
SCHEMBL19035675 0.76 HRH3 (0.47) SORDHRH3KDM4ELMNAL3MBTL1
SCHEMBL15887427 0.75 SORD (0.51) SORDHRH3KDM4ELMNAL3MBTL1
SCHEMBL2074813 0.75 LMNA (0.54) SORDHRH3KDM4ELMNAL3MBTL1
SCHEMBL3137995 0.75 HRH3 (0.52) SORDHRH3KDM4EDRD4DRD2
SCHEMBL4498037 0.75 HRH3 (0.46) SORDHRH3KDM4ELMNAL3MBTL1
SCHEMBL3145713 0.74 SORD (0.48) SORDHRH3KDM4ELMNAL3MBTL1

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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 SORD 4685/4885HRH3 801/4885KDM4E 2539/4885

“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.