SCHEMBL1679019

SCHEMBL1679019

CCOC(=O)N1CCNCCN(C(=O)OCC)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
ALDH1A1 P00352 3/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
GAA P10253 5/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
N-(Ethoxycarbonyl)Piperazine SCHEMBL3889276 1.00 TSHR (0.57) TSHRALDH1A1POLBSMN1; SMN2HTT
N-(Ethoxycarbonyl)Piperazine SCHEMBL113765 1.00 TSHR (0.57) TSHRALDH1A1POLBSMN1; SMN2HTT
N-(Ethoxycarbonyl)Piperazine SCHEMBL28219889 0.98 TSHR (0.55) TSHRALDH1A1POLBSMN1; SMN2HTT
N-(Ethoxycarbonyl)Piperazine SCHEMBL11491904 0.98 TSHR (0.55) TSHRALDH1A1POLBSMN1; SMN2HTT
N-(Ethoxycarbonyl)Piperazine SCHEMBL27627315 0.96 TSHR (0.53) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL1143951 0.92 TSHR (0.50) TSHRALDH1A1POLBSMN1; SMN2HTT
N-(Ethoxycarbonyl)Piperazine SCHEMBL4595511 0.92 GAA (0.51) TSHRALDH1A1POLBSMN1; SMN2HTT
N-(Ethoxycarbonyl)Piperazine SCHEMBL23824721 0.91 TSHR (0.49) TSHRALDH1A1POLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28954178 0.91 TSHR (0.49) TSHRALDH1A1POLBSMN1; SMN2HTT
N-(Ethoxycarbonyl)Piperazine SCHEMBL28189103 0.91 TSHR (0.73) TSHRALDH1A1POLBSMN1; SMN2HTT

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 TSHR 1079/4885ALDH1A1 3244/4885POLB 530/4885
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 TSHR 1079/4885ALDH1A1 3244/4885POLB 530/4885

“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.