SCHEMBL16428940

SCHEMBL16428940

NCCCNCCC(N)Cc1cc(CC(N)CCNCCCN)cc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ MC4R P32245 1/20 0.38
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ CHRNA1 P02708 2/20 0.38
▸ CHRNG P07510 2/20 0.38
▸ CHRNB1 P11230 2/20 0.38
▸ CHRND Q07001 2/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
Hydrochloric Acid SCHEMBL16247177 0.99 MMP2 (0.40) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL16246761 0.99 MMP2 (0.40) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16429107 0.99 CHRNB2 (0.42) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16246998 0.91 SIGMAR1 (0.36) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18223040 0.90 CHRNA1 (0.39) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18223044 0.90 MC4R (0.36) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18223036 0.87 CA12 (0.43) MMP2MC4RMC5RMC3R
SCHEMBL16429322 0.86 CHRM2 (0.47) KCNH2
SCHEMBL16429458 0.86 GRIA1 (0.36) MMP2MC4RMC5RMC3RGRIA1
SCHEMBL16428992 0.86 MAOB (0.36) MMP2CHRNB2CHRNB4CHRNA3CHRNA4

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 MMP2 235/4885CHRNB2 4820/4885CHRNB4 4831/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS MMP2 119/4885CHRNB2 4798/4885CHRNB4 4816/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MMP2 197/4885CHRNB2 4818/4885CHRNB4 4839/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MMP2 197/4885CHRNB2 4818/4885CHRNB4 4839/4885

“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.

Send feedback