SCHEMBL5672467

SCHEMBL5672467

NCCCN1CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
CYP2D6 P10635 1/20 0.42
KIF11 P52732 2/20 0.42
HTR2A P28223 2/20 0.40
HRH1 P35367 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 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
SCHEMBL9199829 0.84 SIGMAR1 (0.40) SIGMAR1CYP2D6KIF11HTR2ACHRNB2
Hydrochloric Acid SCHEMBL3672966 0.82 SIGMAR1 (0.49) SIGMAR1CYP2D6KIF11
SCHEMBL10731199 0.80 SIGMAR1 (0.50) SIGMAR1CYP2D6HTR2A
SCHEMBL10731211 0.80 SIGMAR1 (0.50) SIGMAR1CYP2D6HTR2A
SCHEMBL10727791 0.80 SIGMAR1 (0.62) SIGMAR1CYP2D6
SCHEMBL10727786 0.80 SIGMAR1 (0.62) SIGMAR1CYP2D6
SCHEMBL9673634 0.80 CHRNB2 (0.53) SIGMAR1CYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL3594198 0.80 CHRNB2 (0.53) SIGMAR1CYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL9673637 0.80 CHRNB2 (0.53) SIGMAR1CYP2D6CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7965310 0.77 CHRNB2 (0.46) SIGMAR1CYP2D6CHRNB2CHRNB4CHRNA3

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 SIGMAR1 4817/4885CYP2D6 1922/4885KIF11 3479/4885
US-20040053208-A1 Methods to selectively inactivate parasites in biological compositions AZI2, MPO, GZMB SIGMAR1 4093/4885CYP2D6 3299/4885KIF11 3308/4885

“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.