SCHEMBL4364575

SCHEMBL4364575

O=C(O)N1CCNCc2cccc(n2)CNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.54
SIGMAR1 Q99720 2/20 0.45
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR2A P28223 2/20 0.37
ADRB1 P08588 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
NCF1 P14598 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL21906528 0.80 CXCR4 (0.61) CXCR4SIGMAR1ADRB1
SCHEMBL12342817 0.78 MAPK1 (0.48) CXCR4POLBPARP1
SCHEMBL9207672 0.75 CXCR4 (0.58) CXCR4SIGMAR1HTR2AADRB1HTR3E
SCHEMBL12691712 0.75 CXCR4 (0.60) CXCR4SIGMAR1HTR2AADRB1HTR3E
SCHEMBL21427272 0.74 CXCR4 (0.55) CXCR4SIGMAR1ADRB1
SCHEMBL1673295 0.73 CXCR4 (0.56) CXCR4SIGMAR1HTR2AADRB1HTR3E
SCHEMBL8235408 0.73 CXCR4 (0.56) CXCR4SIGMAR1HTR2AADRB1HTR3E
SCHEMBL29520740 0.73 CXCR4 (0.56) CXCR4SIGMAR1HTR2AADRB1HTR3E
SCHEMBL20623760 0.72 CXCR4 (0.57) CXCR4SIGMAR1HTR2AADRB1HTR3E
Phenol SCHEMBL28261711 0.72 SIGMAR1 (0.59) SIGMAR1POLBRXFP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202509-A1 FLUORINE-18 COMPLEX USEFUL FOR POSITRON-EMISSION TOMOGRAPHY Conservatoire National des Arts et Métiers (FR) 2025-10-02 WO disclosed
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 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-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 CXCR4 337/4885SIGMAR1 1433/4885POLB 4175/4885

“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.