SCHEMBL2403063

SCHEMBL2403063

NCCCNCCC(N)Cc1cccc(CC(N)CCNCCCN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.43
▸ MC5R P33032 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ MMP2 P08253 3/20 0.42
▸ CHRNA1 P02708 1/20 0.40
▸ CHRNG P07510 1/20 0.40
▸ CHRNB1 P11230 1/20 0.40
▸ CHRND Q07001 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ CASP2 P42575 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL16429433 0.98 CHRNA1 (0.42) MC4RMC5RMC3RMMP2CHRNA1
Hydrochloric Acid SCHEMBL16247087 0.98 MC4R (0.42) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL18223040 0.92 CHRNA1 (0.39) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL18223036 0.90 CA12 (0.43) MC4RMC5RMC3RMMP2CASP2
SCHEMBL15287731 0.89 MMP2 (0.44) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL15287521 0.89 MMP2 (0.44) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL16266914 0.86 CASP2 (0.43) MC4RMC5RMC3RMMP2CASP2
SCHEMBL16428940 0.84 MMP2 (0.40) MC4RMC5RMC3RMMP2CHRNA1
Hydrochloric Acid SCHEMBL16246761 0.83 MMP2 (0.40) MC4RMC5RMC3RMMP2CHRNA1
SCHEMBL16429107 0.83 CHRNB2 (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 14 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
EP-2539389-B1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2017-12-20 — — EP disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 — — US disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 — — US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 — — 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
EP-2999345-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE Curza Global LLC (US) 2016-03-30 — — EP disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 — — US disclosed
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2014-12-04 — — US disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 — — WO disclosed
EP-2539389-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 — — EP disclosed
WO-2011106548-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 — — WO 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 (6 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-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 MC4R 775/4885MC5R 857/4885MC3R 1038/4885
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX MC4R 4796/4885MC5R 4354/4885MC3R 4518/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 MC4R 775/4885MC5R 857/4885MC3R 1038/4885
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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