SCHEMBL16428817

SCHEMBL16428817

CC(C)CNCCCNCCC(N)Cc1cc(CC(N)CCNCCCNCC(C)C)cc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ RNPEP Q9H4A4 1/20 0.34
▸ DNPEP Q9ULA0 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ PGGT1B P53609 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL16429298 0.95 ERAP2 (0.35) ERAP2ERAP1LNPEPHDAC1GRIN1
SCHEMBL18223039 0.91 MAP4K4 (0.34) ERAP2ERAP1LNPEPFNTAFNTB
SCHEMBL16429448 0.90 GRIN1 (0.37) ERAP2ERAP1LNPEPHDAC1GRIN1
SCHEMBL16429268 0.87 CHRNB2 (0.41) KCNH2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16429107 0.86 CHRNB2 (0.42) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL16247106 0.85 PNMT (0.37) KCNH2ANPEPRNPEPDNPEP
SCHEMBL21632660 0.85 HDAC1 (0.36) HDAC1ANPEPRNPEPDNPEPFNTA
SCHEMBL16429223 0.85 SIGMAR1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2
SCHEMBL16429158 0.85 SIGMAR1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2
SCHEMBL16429322 0.85 CHRM2 (0.47) KCNH2

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 ERAP2 1705/4885ERAP1 1211/4885LNPEP 264/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS ERAP2 1546/4885ERAP1 1182/4885LNPEP 213/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS ERAP2 1825/4885ERAP1 1365/4885LNPEP 271/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS ERAP2 1825/4885ERAP1 1365/4885LNPEP 271/4885

“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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