SCHEMBL452398

SCHEMBL452398

NCCC(CCN)C(N)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
TRPA1 O75762 1/20 0.33
GABRR1 P24046 2/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL14540545 0.83
SCHEMBL10706198 0.81 GSR (0.42) GSRTRPV1TRPA1DPP7
SCHEMBL8397674 0.73
SCHEMBL28698292 0.72
SCHEMBL28373386 0.72
SCHEMBL36062 0.72
SCHEMBL7782069 0.72
SCHEMBL598713 0.71 METAP1 (0.48) TRPV1TRPA1
SCHEMBL11532912 0.70 CYP3A4 (0.36) GSR
Bromide SCHEMBL11687258 0.69

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065114-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2012-03-15 US disclosed
US-20110207643-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2011-08-25 US disclosed
US-20110082064-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2011-04-07 US disclosed
EP-1095128-B2 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT PROCTER & GAMBLE (US) 2011-03-09 EP disclosed
EP-1100857-B1 USE OF SURFACE ACTIVE AGENTS TO REDUCE SCUM IN FABRIC CARE COMPOSITIONS PROCTER & GAMBLE (US) 2010-11-03 EP disclosed
US-20100234258-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2010-09-16 US disclosed
US-20100041573-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2010-02-18 US disclosed
EP-0924293-B2 Use of a crystal growth inhibitor to reduce fabric abrasion PROCTER & GAMBLE (US) 2009-11-11 EP disclosed
US-20090131294-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT BETTIOL JEAN-LUC PHILIPPE 2009-05-21 US disclosed
US-20080227676-A1 Amine reaction compounds comprising one or more active ingredient PROCTER & GAMBLE COMPANY, THE 2008-09-18 US disclosed
WO-1999021954-A1 LAUNDRY COMPOSITIONS HAVING REDUCED MALODOR AND METHODS FOR PROVIDING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 WO disclosed
WO-1999016802-A1 COPOLYMERIC COMPOUNDS COMPRISING ONE OR MORE ACTIVE ALDEHYDE MONOMERIC UNIT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016803-A1 CO-POLYMERIC COMPOUNDS COMPRISING ONE OR MORE ACTIVE ALDEHYDE MONOMERIC UNIT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016811-A1 ETHOXYLATED AMINO-FUNCTIONAL POLYMERS THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016801-A1 GLYOXYLIC COMPOUND COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016804-A1 GLYOXYLIC COMPOUND COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999009122-A1 CLEAR LIQUID FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-02-25 WO disclosed
WO-1998027191-A1 RINSE-ADDED AND DRYER-ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF ESTER FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-25 WO disclosed
WO-1998012292-A1 FABRIC SOFTENERS HAVING INCREASED PERFORMANCE THE PROCTER & GAMBLE COMPANY (US) 1998-03-26 WO disclosed
WO-1998007811-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 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 (3 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-20100041573-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT MAOA, MAOB, CMA1 GSR 2102/4885TRPV1 180/4885TRPA1 94/4885
US-20110082064-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT MAOA, MAOB, CMA1 GSR 2102/4885TRPV1 180/4885TRPA1 94/4885
US-20110207643-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT MAOA, MAOB, CMA1 GSR 2102/4885TRPV1 180/4885TRPA1 94/4885

“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.