SCHEMBL16429501

SCHEMBL16429501

CC(C)Oc1cc(CC(N)CCNCCCN)cc(CC(N)CCNCCCN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ MC4R P32245 1/20 0.32
▸ MC5R P33032 1/20 0.32
▸ MC3R P41968 1/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ CASP2 P42575 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL16429473 0.88 CARM1 (0.41) CARM1PRMT3PRMT6PRMT1PRMT8
SCHEMBL18223036 0.85 CA12 (0.43) MC4RMC5RMC3RMEN1KMT2A
SCHEMBL16429184 0.82 ALDH1A1 (0.38) CARM1KMT2ATSHRCHRNB2CHRNB4
SCHEMBL16246956 0.81 CARM1 (0.38) CARM1MEN1KMT2ACYP2C19CYP1A2
Hydrochloric Acid SCHEMBL29778362 0.81 ALDH1A1 (0.37) CARM1KMT2ATSHR
SCHEMBL16152245 0.80 MC4R (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16429163 0.80 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL16429181 0.79 MC4R (0.39) MC4RMC5RMC3RCHRNB2CHRNB4
Hydrochloric Acid SCHEMBL29778303 0.79 MC4R (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16429306 0.77 BCHE (0.44) MEN1KMT2AGRIA1

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 GRIN2D 3171/4885GRIN3B 2176/4885GRIN1 2396/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS GRIN2D 2887/4885GRIN3B 2120/4885GRIN1 2506/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS GRIN2D 2603/4885GRIN3B 2005/4885GRIN1 2208/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS GRIN2D 2603/4885GRIN3B 2005/4885GRIN1 2208/4885

“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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