SCHEMBL5672803

SCHEMBL5672803

C(CNCCCN1CC1)CN1CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.59
PAOX Q6QHF9 1/20 0.44
SCN5A Q14524 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HPGD P15428 1/20 0.40
DUSP3 P51452 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL8876012 0.97 ACE2 (0.56) ACE2PAOXSCN5ATP53SMN1; SMN2
SCHEMBL4392341 0.89 ACE2 (0.50) ACE2PAOXSCN5ATP53SMN1; SMN2
SCHEMBL5910693 0.88 HRH3 (0.57) ACE2PAOXSCN5ASMN1; SMN2HRH3
SCHEMBL13822725 0.87 ACE2 (0.48) ACE2PAOXSCN5ATP53SMN1; SMN2
SCHEMBL4396749 0.87 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2
SCHEMBL4396790 0.87 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2KDM1A
SCHEMBL4393776 0.87 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2
SCHEMBL18121254 0.87 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2
SCHEMBL17526233 0.86 HRH3 (0.55) ACE2PAOXSCN5ASMN1; SMN2HRH3
SCHEMBL17526224 0.86 HRH3 (0.55) ACE2PAOXSCN5ASMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549761-A4 METHODS AND COMPOSITIONS FOR THE MODIFICATION OF NUCLEIC ACIDS VI TECHNOLOGIES INC (US) 2006-02-15 EP disclosed
EP-1549761-A1 METHODS AND COMPOSITIONS FOR THE MODIFICATION OF NUCLEIC ACIDS V.I. Technologies, Inc. (US) 2005-07-06 EP disclosed
WO-2005042060-A2 METHOD AND COMPOSITION COMPRISING PYRUVATE, INOSINE, ADENINE, PHOSPHATE AND AN AZIRIDINO COMPOUND FOR TREATING A BIOLOGICAL SAMPLE V.I. TECHNOLOGIES, INC. (US) 2005-05-12 WO disclosed
US-20050074743-A1 Method and composition for treating a biological sample V.I. TECHNOLOGIES, INC. 2005-04-07 US disclosed
WO-2005002570-A1 USE OF AN AZIRIDINO COMPOUND TO SELECTIVELY INACTIVATE PARASITES IN BIOLOGICAL COMPOSITIONS V.I. TECHNOLOGIES, INC. (US) 2005-01-13 WO disclosed
EP-1451308-A4 THERAPEUTIC USE OF AZIRIDINO COMPOUNDS VI TECHNOLOGIES INC (US) 2004-11-17 EP disclosed
EP-1451308-A2 THERAPEUTIC USE OF AZIRIDINO COMPOUNDS V.I. Technologies, Inc. (US) 2004-09-01 EP disclosed
US-20040053208-A1 Methods to selectively inactivate parasites in biological compositions V. I. TECHNOLOGIES, Inc. (US) 2004-03-18 US disclosed
WO-2003093512-A1 METHODS AND COMPOSITIONS FOR THE MODIFICATION OF NUCLEIC ACIDS V.I. TECHNOLOGIES, INC. (US) 2003-11-13 WO disclosed
WO-2003066806-A2 THERAPEUTIC USE OF AZIRIDINO COMPOUNDS V.I. TECHNOLOGIES, INC. (US) 2003-08-14 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 (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-20050074743-A1 Method and composition for treating a biological sample APOB, MB, ALPP ACE2 512/4885PAOX 2444/4885SCN5A 4051/4885
US-20040053208-A1 Methods to selectively inactivate parasites in biological compositions AZI2, MPO, GZMB ACE2 1614/4885PAOX 656/4885SCN5A 1752/4885

“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.