SCHEMBL19099652

SCHEMBL19099652

Nc1ccc(CNCCNCCNCC2(NCc3ccc(N)cc3)CNCCNCCCNCCNC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.35
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL22479278 0.88 CHRM2 (0.42) CXCR4
SCHEMBL22236847 0.85 CXCR4 (0.36) CXCR4CYP3A4CYP2D6
SCHEMBL22488344 0.71 MGLL (0.37) CXCR4
SCHEMBL19099646 0.71 LOXL2 (0.39) CYP3A4
SCHEMBL15026473 0.70 MAOA (0.31)
SCHEMBL22488653 0.70 SMN1; SMN2 (0.31)
SCHEMBL22479277 0.69 DNM1 (0.33) CXCR4
SCHEMBL22479314 0.68 MGLL (0.36) CXCR4
SCHEMBL22488656 0.68 THRB (0.39)
SCHEMBL19763309 0.66 LOXL2 (0.34) CYP3A4

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-20170189567-A1 Cage-Like Bifunctional Chelators, Copper-64 Radiopharmaceuticals and PET Imaging Using the Same UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-07-06 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-20170189567-A1 Cage-Like Bifunctional Chelators, Copper-64 Radiopharmaceuticals and PET Imaging Using the Same AOC1, MUSK, CTRC CXCR4 1114/4885CYP3A4 4560/4885CYP2D6 4137/4885

“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.