SCHEMBL16264650

SCHEMBL16264650

CC(C)CNCCCNCCCCNCc1cc(CNCCCCNCCCNCC(C)C)cc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.47
▸ MAOA P21397 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SIGMAR1 Q99720 3/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL29778290 0.99 CHRM2 (0.46) CHRM2MAOAALDH1A1CYP1A2CYP2D6
SCHEMBL16264590 0.99 CHRM2 (0.45) CHRM2MAOAALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29778336 0.97 ALDH1A1 (0.46) CHRM2MAOAALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29778334 0.97 ALDH1A1 (0.46) CHRM2MAOAALDH1A1CYP1A2CYP2D6
SCHEMBL16264681 0.96 MAOA (0.50) CHRM2MAOAALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29778254 0.94 MAOA (0.49) CHRM2MAOAALDH1A1CYP1A2CYP2D6
SCHEMBL16436986 0.94 HRH4 (0.49) CHRM2MAOACYP1A2CYP2D6SIGMAR1
SCHEMBL16436987 0.94 HRH4 (0.49) CHRM2MAOACYP1A2CYP2D6SIGMAR1
SCHEMBL16264585 0.89 CHRM2 (0.45) CHRM2MAOACYP1A2CYP2D6HTR1A
Hydrochloric Acid SCHEMBL29778279 0.87 CHRM2 (0.44) CHRM2CYP1A2CYP2D6HTR1A

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 CHRM2 3917/4885MAOA 116/4885ALDH1A1 2702/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CHRM2 3986/4885MAOA 116/4885ALDH1A1 2159/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885ALDH1A1 2704/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885ALDH1A1 2704/4885

“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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