SCHEMBL1678359

SCHEMBL1678359

O=C1C(=O)N2CCCNCCNCCCN1CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.40
CHRNA4 P43681 9/20 0.40
CXCR4 P61073 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HRH1 P35367 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA7 P36544 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 1/20 0.35
CXCL12 P48061 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL1678646 0.84 ADRB1 (0.43) CXCR4SMN1; SMN2HRH1TDP1USP2
SCHEMBL8064202 0.72 ALDH1A1 (0.41) SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL5551088 0.69 ADRB1 (0.43) CHRNB2CHRNA4SMN1; SMN2HRH1TDP1
SCHEMBL17351867 0.67 HRH1 (0.77) CHRNB2CHRNA4SMN1; SMN2HRH1TDP1
SCHEMBL336034 0.64 CXCR4 (0.50) CHRNB2CHRNA4CXCR4SMN1; SMN2TDP1
Piperazine SCHEMBL7791137 0.63 CXCR4 (0.89) CXCR4SMN1; SMN2TDP1MEN1CHRM2
SCHEMBL17201382 0.61 CXCR4 (0.47) CHRNB2CHRNA4CXCR4SMN1; SMN2TDP1
SCHEMBL20853807 0.60 CXCR4 (0.44) CHRNB2CHRNA4CXCR4SMN1; SMN2HRH1
SCHEMBL3999349 0.60 CXCR4 (0.53) CXCR4SMN1; SMN2TDP1MEN1CHRM2
SCHEMBL29095229 0.60 CXCR4 (0.53) CXCR4SMN1; SMN2TDP1MEN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928096-B2 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-19 US disclosed
US-20090068248-A1 POLYDIAZENIUMDIOLATED CYCLIC POLYAMINES WITH POLYPHASIC NITRIC OXIDE RELEASE AND RELATED COMPOUNDS, COMPOSITIONS COMPRISING SAME AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HE (US) 2009-03-12 US disclosed
US-7468435-B2 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-12-23 US disclosed
US-20050148566-A1 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE GOVERNMENT OF THE USA, AS REP. BY THE SECRETARY, DEPT. OF HEALTH & HUMAN SERVICES (US) 2005-07-07 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 (2 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-20090068248-A1 POLYDIAZENIUMDIOLATED CYCLIC POLYAMINES WITH POLYPHASIC NITRIC OXIDE RELEASE AND RELATED COMPOUNDS, COMPOSITIONS COMPRISING SAME AND METHODS OF USING SAME NOS2, ARG2, NOS1 CHRNB2 1672/4885CHRNA4 2980/4885CXCR4 4393/4885
US-20050148566-A1 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same NOS2, ARG2, NOS1 CHRNB2 1672/4885CHRNA4 2980/4885CXCR4 4393/4885

“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.