SCHEMBL16264590

SCHEMBL16264590

CC(C)CNCCCNCCCNCc1cc(CNCCCNCCCNCC(C)C)cc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ SIGMAR1 Q99720 3/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2A Q12879 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 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 SCHEMBL29778334 0.99 ALDH1A1 (0.46) CHRM2ALDH1A1CYP1A2CYP2D6HTR1A
SCHEMBL16264650 0.99 CHRM2 (0.47) CHRM2ALDH1A1CYP1A2CYP2D6HTR1A
Hydrochloric Acid SCHEMBL29778336 0.99 ALDH1A1 (0.46) CHRM2ALDH1A1CYP1A2CYP2D6HTR1A
Hydrochloric Acid SCHEMBL29778290 0.97 CHRM2 (0.46) CHRM2ALDH1A1CYP1A2CYP2D6HTR1A
SCHEMBL16264681 0.94 MAOA (0.50) CHRM2ALDH1A1CYP1A2CYP2D6HTR1A
Hydrochloric Acid SCHEMBL29778254 0.93 MAOA (0.49) CHRM2ALDH1A1CYP1A2CYP2D6HTR1A
SCHEMBL16436986 0.92 HRH4 (0.49) CHRM2CYP1A2CYP2D6MAOASMN1; SMN2
SCHEMBL16436987 0.92 HRH4 (0.49) CHRM2CYP1A2CYP2D6MAOASMN1; SMN2
SCHEMBL16264585 0.90 CHRM2 (0.45) CHRM2CYP1A2CYP2D6HTR1AMAOA
Hydrochloric Acid SCHEMBL29778279 0.89 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999345-B1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL LLC (US) 2022-08-10 — — EP disclosed
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-20170298002-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES CURZA GLOBAL, LLC 2017-10-19 — — 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 (5 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 3917/4885ALDH1A1 2702/4885CYP1A2 4391/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CHRM2 3986/4885ALDH1A1 2159/4885CYP1A2 4377/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885ALDH1A1 2704/4885CYP1A2 4330/4885
US-20170298002-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES SRM, PNMT, SMS CHRM2 2475/4885ALDH1A1 127/4885CYP1A2 1488/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885ALDH1A1 2704/4885CYP1A2 4330/4885

“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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