SCHEMBL16429181

SCHEMBL16429181

NCCCNCCC(N)Cc1cc(CC(N)CCNCCCN)cc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.39
▸ MC5R P33032 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRND Q07001 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 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
SCHEMBL16429306 0.85 BCHE (0.44) MMP2LTA4HCHRNA1CHRNGCHRNB1
SCHEMBL18223036 0.83 CA12 (0.43) MC4RMC5RMC3RMMP2
SCHEMBL16428940 0.83 MMP2 (0.40) MC4RMC5RMC3RMMP2CHRNA1
Hydrochloric Acid SCHEMBL16247177 0.82 MMP2 (0.40) MC4RMC5RMC3RMMP2CHRNA1
Hydrochloric Acid SCHEMBL16246761 0.82 MMP2 (0.40) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL16429107 0.82 CHRNB2 (0.42) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL2403063 0.81 MC4R (0.43) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL16151768 0.80 MC4R (0.54) MC4RMC5RMC3RLTA4H
SCHEMBL16435204 0.79 MC4R (0.56) MC4RMC5RMC3RLTA4HDRD4
Hydrochloric Acid SCHEMBL16247087 0.79 MC4R (0.42) MC4RMC5RMC3RMMP2CHRNA1

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 MC4R 4796/4885MC5R 4354/4885MC3R 4518/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS MC4R 4823/4885MC5R 4385/4885MC3R 4578/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4831/4885MC5R 4420/4885MC3R 4585/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4831/4885MC5R 4420/4885MC3R 4585/4885

“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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