SCHEMBL19696563

SCHEMBL19696563

CCCCC(C)COc1cc(CNCCCNCCCN)cc(CNCCCNCCCN)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.37
▸ MC5R P33032 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CHRM2 P08172 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ S1PR2 O95136 3/20 0.32
▸ S1PR1 P21453 3/20 0.32
▸ S1PR3 Q99500 3/20 0.32
▸ LPAR2 Q9HBW0 3/20 0.32
▸ GPR88 Q9GZN0 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19696562 0.87 MC4R (0.36) MC4RMC5RMC3RCNR1CNR2
SCHEMBL16264583 0.87 CYP3A4 (0.42) MC4RMC5RMC3RCNR1CNR2
Hydrochloric Acid SCHEMBL29778321 0.86 CYP3A4 (0.41) MC4RMC5RMC3RCNR1CNR2
SCHEMBL16264579 0.83 CNR1 (0.44) MC4RMC5RMC3RCNR1CNR2
SCHEMBL16264600 0.82 MC4R (0.40) MC4RMC5RMC3RCNR1CNR2
Hydrochloric Acid SCHEMBL29778341 0.82 CNR1 (0.44) MC4RMC5RMC3RCNR1CNR2
Hydrochloric Acid SCHEMBL29778307 0.81 MC4R (0.40) MC4RMC5RMC3RCNR1CNR2
SCHEMBL16151765 0.78 MC4R (0.47) MC4RMC5RMC3RKMT2AHRH4
SCHEMBL16152245 0.76 MC4R (0.44) MC4RMC5RMC3RCHRM2KMT2A
SCHEMBL16264625 0.76 CARM1 (0.40) MC4RMC5RMC3RCNR1CNR2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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

“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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