SCHEMBL16260100

SCHEMBL16260100

NCCCCCCCCCCCCNCc1cccc(CNCCCCCCCCCCCCN)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.62
MAOA P21397 1/20 0.59
MC4R P32245 2/20 0.57
MC5R P33032 2/20 0.57
MC3R P41968 1/20 0.57
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
SIGMAR1 Q99720 3/20 0.52
CXCR4 P61073 1/20 0.49

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
SCHEMBL16152208 1.00 CHRM2 (0.62) CHRM2MAOAMC4RMC5RMC3R
Hydrochloric Acid SCHEMBL29778352 0.98 CHRM2 (0.61) CHRM2MAOAMC4RMC5RMC3R
Hydrochloric Acid SCHEMBL29778300 0.98 CHRM2 (0.61) CHRM2MAOAMC4RMC5RMC3R
SCHEMBL17770844 0.96 CHRM2 (0.62) CHRM2MAOAMC4RMC5RMC3R
SCHEMBL16151774 0.92 MC4R (0.66) CHRM2MAOAMC4RMC5RMC3R
SCHEMBL16136721 0.89 MC4R (0.62) CHRM2MAOAMC4RMC5RMC3R
SCHEMBL16152234 0.89 MC4R (0.62) CHRM2MAOAMC4RMC5RMC3R
SCHEMBL20127841 0.88 CHRM2 (0.54) CHRM2MAOAMC4RMC5RMC3R
SCHEMBL18575582 0.88 MC4R (0.63) CHRM2MAOAMC4RMC5RMC3R
SCHEMBL16152227 0.88 CA12 (0.50) CHRM2MAOAMC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10440955-B2 Methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2019-10-15 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-9034927-B2 Methods of use for compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2015-05-19 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 WO disclosed
US-20140350017-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH (US) 2014-11-27 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 (5 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-20140350017-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3431/4885MAOA 113/4885MC4R 4854/4885
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX CHRM2 3917/4885MAOA 116/4885MC4R 4796/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CHRM2 3986/4885MAOA 116/4885MC4R 4823/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885MC4R 4831/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885MC4R 4831/4885

“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.