SCHEMBL14037795

SCHEMBL14037795

O=CCN1CCNCCN(CC=O)CCN(CC=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CXCR4 P61073 4/20 0.35
SIGMAR1 Q99720 5/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2C P18825 1/20 0.31
CCR2 P41597 1/20 0.31
CXCL12 P48061 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL40040 0.97
SCHEMBL18351061 0.97 POLB (0.38) POLBSMN1; SMN2CXCR4SIGMAR1CHRM5
SCHEMBL9286352 0.95 CXCR4 (0.40) POLBSMN1; SMN2CXCR4SIGMAR1CHRM5
Hydrochloric Acid SCHEMBL18770806 0.95 SMN1; SMN2 (0.37) POLBSMN1; SMN2CXCR4SIGMAR1CHRM5
SCHEMBL13671432 0.89 CXCR4 (0.34) POLBSMN1; SMN2CXCR4CHRM5CHRM3
SCHEMBL1855230 0.89 CXCR4 (0.50) POLBSMN1; SMN2CXCR4SIGMAR1CHRM5
SCHEMBL28374092 0.84
SCHEMBL12229434 0.83 CHRM5 (0.40) CXCR4SIGMAR1CHRM5CHRM3HSD17B10
SCHEMBL1377716 0.83
SCHEMBL22883386 0.76 SIGMAR1 (0.51) SMN1; SMN2SIGMAR1CHRM5CHRM3MEN1

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-20080292551-A1 Method to Produce Hyperpolarised Carboxylates GE HEALTHCARE AS (NO) 2008-11-27 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-20080292551-A1 Method to Produce Hyperpolarised Carboxylates PAM, OAT, TSPO POLB 2399/4885SMN1; SMN2 2998/4885CXCR4 2701/4885

“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.