SCHEMBL16264579

SCHEMBL16264579

CCCCOc1cc(CNCCCNCCCN)cc(CNCCCNCCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ MC4R P32245 1/20 0.43
▸ MC5R P33032 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ S1PR2 O95136 5/20 0.43
▸ S1PR1 P21453 5/20 0.43
▸ S1PR3 Q99500 5/20 0.43
▸ LPAR2 Q9HBW0 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CARM1 Q86X55 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
Hydrochloric Acid SCHEMBL29778341 0.99 CNR1 (0.44) CNR1CNR2MC4RMC5RMC3R
SCHEMBL16151765 0.86 MC4R (0.47) MC4RMC5RMC3RKMT2ATSHR
SCHEMBL16436973 0.85 CNR1 (0.55) CNR1CNR2S1PR2S1PR1S1PR3
SCHEMBL16264625 0.83 CARM1 (0.40) CNR1CNR2MC4RMC5RMC3R
SCHEMBL19696563 0.83 MC4R (0.37) CNR1CNR2MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL29778361 0.82 CARM1 (0.40) CNR1CNR2MC4RMC5RMC3R
SCHEMBL19696562 0.82 MC4R (0.36) CNR1CNR2MC4RMC5RMC3R
SCHEMBL16264583 0.82 CYP3A4 (0.42) CNR1CNR2MC4RMC5RMC3R
SCHEMBL16264600 0.82 MC4R (0.40) CNR1CNR2MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL29778321 0.81 CYP3A4 (0.41) CNR1CNR2MC4RMC5RMC3R

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 12 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-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
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 — — 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 (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 CNR1 4006/4885CNR2 4137/4885MC4R 4796/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CNR1 3959/4885CNR2 4037/4885MC4R 4823/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CNR1 4028/4885CNR2 4110/4885MC4R 4831/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CNR1 4028/4885CNR2 4110/4885MC4R 4831/4885

“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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