SCHEMBL16151768

SCHEMBL16151768

NCCCNCCCNCc1cc(CNCCCNCCCN)cc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.54
▸ MC5R P33032 2/20 0.54
▸ MC3R P41968 1/20 0.54
▸ CHRM2 P08172 2/20 0.46
▸ BCHE P06276 1/20 0.45
▸ LTA4H P09960 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ MAOA P21397 1/20 0.42

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 SCHEMBL29778308 0.99 MC4R (0.52) MC4RMC5RMC3RCHRM2BCHE
SCHEMBL16435204 0.97 MC4R (0.56) MC4RMC5RMC3RCHRM2BCHE
SCHEMBL25047737 0.87 MC4R (0.59) MC4RMC5RMC3RCHRM2BCHE
SCHEMBL16264603 0.83 BCHE (0.59) MC4RMC5RMC3RCHRM2BCHE
SCHEMBL16429310 0.82 MARS1 (0.49) CHRM2BCHELTA4HKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29778348 0.82 BCHE (0.58) MC4RMC5RMC3RBCHEALDH1A1
SCHEMBL16151766 0.80 MC4R (0.55) MC4RMC5RMC3RSMN1; SMN2MAOB
SCHEMBL16435203 0.80 MC4R (0.55) MC4RMC5RMC3RSMN1; SMN2MAOB
SCHEMBL16151767 0.80 MC4R (0.54) MC4RMC5RMC3RCHRM2SMN1; SMN2
SCHEMBL25047684 0.80 KDM4E (0.60) MC4RMC5RMC3RCHRM2BCHE

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 16 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-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-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-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-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 — — US disclosed
US-20150274639-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2015-10-01 — — US disclosed
US-9034927-B2 Methods of use for compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2015-05-19 — — US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 — — US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 — — US disclosed
US-20140350017-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH (US) 2014-11-27 — — US disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 — — WO disclosed
US-8853278-B1 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2014-10-07 — — 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 (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-20140350017-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4854/4885MC5R 4415/4885MC3R 4582/4885
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
US-20150274639-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4854/4885MC5R 4415/4885MC3R 4582/4885

“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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