SCHEMBL25635262

SCHEMBL25635262

CCCN(CCC)CCN(CCC)CCI

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
HTR1A P08908 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12514925 0.97 HRH3 (0.33) HRH3DRD2DRD3HTR1ACA12
SCHEMBL25985028 0.85
SCHEMBL10787449 0.83 HRH3 (0.39) HRH3DRD2DRD3HTR1ACA12
SCHEMBL308780 0.83 HRH3 (0.39) HRH3DRD2DRD3HTR1ACA12
SCHEMBL14270553 0.83 HRH3 (0.39) HRH3DRD2DRD3HTR1ACA12
SCHEMBL756023 0.83 HRH3 (0.39) HRH3DRD2DRD3HTR1ACA12
SCHEMBL12552538 0.79 LMNA (0.31)
SCHEMBL5358 0.79 HRH3 (0.41) HRH3DRD2DRD3HTR1ACA12
SCHEMBL2729745 0.79 HRH3 (0.41) HRH3DRD2DRD3HTR1ACA12
SCHEMBL21224483 0.79 HRH3 (0.41) HRH3DRD2DRD3HTR1ACA12

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-20230173082-A1 ANTIBACTERIAL PRODUCTS UNIVERSITY OF LINCOLN (GB) 2023-06-08 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-20230173082-A1 ANTIBACTERIAL PRODUCTS XIAP, CLSPN, SLC47A2 HRH3 3565/4885DRD2 3707/4885DRD3 3587/4885

“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.