SCHEMBL16429268

SCHEMBL16429268

CCCCNCCCNCCC(N)Cc1cc(CC(N)CCNCCCNCCCC)cc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNB4 P30926 2/20 0.41
▸ CHRNA3 P32297 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ SIGMAR1 Q99720 5/20 0.40
▸ CSNK1E P49674 1/20 0.38
▸ REN P00797 1/20 0.36
▸ CALM1 P0DP23 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KCNH2 Q12809 1/20 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
SCHEMBL16429158 0.95 SIGMAR1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16429223 0.95 SIGMAR1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16429218 0.90 SIGMAR1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL16429107 0.88 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16428817 0.87 ERAP2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4KCNH2
SCHEMBL16429322 0.87 CHRM2 (0.47) SIGMAR1KCNH2
SCHEMBL16428940 0.86 MMP2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4KCNH2
Hydrochloric Acid SCHEMBL16247177 0.85 MMP2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL16246761 0.85 MMP2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16429298 0.82 ERAP2 (0.35) 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 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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