SCHEMBL16429448

SCHEMBL16429448

CC(C)CNCCCCCCCCCCCC(N)Cc1cc(CC(N)CCCCCCCCCCCNCC(C)C)cc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ SIGMAR1 Q99720 7/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ RNPEP Q9H4A4 1/20 0.34
▸ DNPEP Q9ULA0 1/20 0.34
▸ MAOA P21397 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 0.93 ERAP2 (0.35) GRIN1GRIN2AERAP2ERAP1LNPEP
SCHEMBL16428817 0.90 ERAP2 (0.35) GRIN1GRIN2AERAP2ERAP1LNPEP
SCHEMBL16429218 0.82 SIGMAR1 (0.44) SIGMAR1SLC2A1CSNK1E
SCHEMBL18223039 0.81 MAP4K4 (0.34) SIGMAR1ERAP2ERAP1LNPEP
SCHEMBL16264681 0.81 MAOA (0.50) GRIN1GRIN2ASIGMAR1HDAC1MAOA
Hydrochloric Acid SCHEMBL29778254 0.80 MAOA (0.49) GRIN1GRIN2ASIGMAR1SLC2A1HDAC1
SCHEMBL16429223 0.80 SIGMAR1 (0.44) SIGMAR1SLC2A1CSNK1E
SCHEMBL16429158 0.80 SIGMAR1 (0.44) SIGMAR1SLC2A1CSNK1E
SCHEMBL16429285 0.78 MMP2 (0.44) GRIN1GRIN2ASIGMAR1CSNK1EANPEP
SCHEMBL16264650 0.78 CHRM2 (0.47) GRIN1GRIN2ASIGMAR1HDAC1MAOA

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 GRIN1 2396/4885GRIN2A 3713/4885SIGMAR1 1551/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS GRIN1 2506/4885GRIN2A 3578/4885SIGMAR1 1642/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS GRIN1 2208/4885GRIN2A 3452/4885SIGMAR1 1771/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS GRIN1 2208/4885GRIN2A 3452/4885SIGMAR1 1771/4885

“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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