SCHEMBL16429223

SCHEMBL16429223

CCCCCCNCCCNCCC(N)Cc1cc(CC(N)CCNCCCNCCCCCC)cc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.44
▸ CSNK1E P49674 1/20 0.42
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ TLR2 O60603 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL16429158 1.00 SIGMAR1 (0.44) SIGMAR1CSNK1ECHRNB2CHRNB4CHRNA3
SCHEMBL16429218 0.95 SIGMAR1 (0.44) SIGMAR1CSNK1ECHRNB2CHRNB4CHRNA3
SCHEMBL16429268 0.95 CHRNB2 (0.41) SIGMAR1CSNK1ECHRNB2CHRNB4CHRNA3
SCHEMBL16429107 0.86 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16428819 0.85 CYP1A2 (0.49) SIGMAR1CSNK1EHRH4HRH3CYP1A2
SCHEMBL16428821 0.85 CYP1A2 (0.49) SIGMAR1CSNK1EHRH4HRH3CYP1A2
SCHEMBL21632582 0.85 SIGMAR1 (0.43) SIGMAR1CSNK1ECHRNB2CHRNB4CHRNA3
SCHEMBL16428817 0.85 ERAP2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2
SCHEMBL16429322 0.85 CHRM2 (0.47) SIGMAR1
SCHEMBL16428940 0.84 MMP2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4

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 SIGMAR1 1551/4885CSNK1E 4833/4885CHRNB2 4820/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS SIGMAR1 1642/4885CSNK1E 4856/4885CHRNB2 4798/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS SIGMAR1 1771/4885CSNK1E 4815/4885CHRNB2 4818/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS SIGMAR1 1771/4885CSNK1E 4815/4885CHRNB2 4818/4885

“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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