SCHEMBL16429108

SCHEMBL16429108

NCCCNCCCNC(CCN)Cc1cc(CC(CCN)NCCCNCCCN)cc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CHRNA1 P02708 2/20 0.38
▸ CHRNG P07510 2/20 0.38
▸ CHRNB1 P11230 2/20 0.38
▸ CHRND Q07001 2/20 0.38
▸ MC4R P32245 1/20 0.36
▸ MC5R P33032 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ GRIA1 P42261 3/20 0.36
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35

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
SCHEMBL16428941 0.95 SIGMAR1 (0.43) SIGMAR1MC4RMC5RMC3RGRIN1
Hydrochloric Acid SCHEMBL16247175 0.93 SIGMAR1 (0.42) SIGMAR1GRIN1GRIN2A
SCHEMBL16246998 0.92 SIGMAR1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16429269 0.91 SIGMAR1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16429323 0.90 MAOA (0.42) SIGMAR1MC4RMC5RMC3R
SCHEMBL16429160 0.89 SIGMAR1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16429225 0.89 SIGMAR1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16428818 0.88 SIGMAR1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16429220 0.86 SIGMAR1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL18223042 0.85 SIGMAR1 (0.39) SIGMAR1CHRNA1CHRNGCHRNB1CHRND

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 6 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-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-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 — — US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 — — 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 (4 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-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX CHRNB2 4820/4885CHRNB4 4831/4885CHRNA3 4817/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CHRNB2 4798/4885CHRNB4 4816/4885CHRNA3 4796/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRNB2 4818/4885CHRNB4 4839/4885CHRNA3 4817/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRNB2 4818/4885CHRNB4 4839/4885CHRNA3 4817/4885

“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.

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