SCHEMBL20733166

SCHEMBL20733166

O=C1NCCCN1CCCN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 3/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
THRB P10828 1/20 0.35
GRIN2D O15399 1/20 0.35

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
SCHEMBL20733275 0.87 SMN1; SMN2 (0.49) SMN1; SMN2POLBMAPTALDH1A1KDM4E
SCHEMBL22662832 0.83 SMN1; SMN2 (0.50) SMN1; SMN2POLBMAPTALDH1A1KDM4E
SCHEMBL7627401 0.79 CXCR4 (0.50) CXCR4SMN1; SMN2SIGMAR1CHRM2CHRM4
SCHEMBL2949018 0.78 POLB (0.44) SMN1; SMN2POLBALDH1A1THRB
SCHEMBL1446208 0.78 SMN1; SMN2 (0.45) SMN1; SMN2POLBMAPTALDH1A1KDM4E
SCHEMBL7625818 0.78 CXCR4 (0.44) CXCR4SMN1; SMN2SIGMAR1POLBKDM1A
SCHEMBL17599187 0.77 SMN1; SMN2 (0.44) SMN1; SMN2POLBMAPTALDH1A1KDM4E
SCHEMBL1421683 0.77 SMN1; SMN2 (0.44) SMN1; SMN2POLBMAPTALDH1A1KDM4E
SCHEMBL1447130 0.77 SMN1; SMN2 (0.44) SMN1; SMN2POLBMAPTALDH1A1KDM4E
SCHEMBL1446210 0.77 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361910-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-11-19 US disclosed
WO-2019030197-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-02-14 WO 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-20200361910-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES HRH3, HRH4, HRH1 CXCR4 1262/4885SMN1; SMN2 4684/4885SIGMAR1 288/4885

“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.