SCHEMBL16264681

SCHEMBL16264681

CC(C)CNCCCCCCCCCCCCNCc1cc(CNCCCCCCCCCCCCNCC(C)C)cc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.50
▸ CHRM2 P08172 4/20 0.49
▸ SIGMAR1 Q99720 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41

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 SCHEMBL29778254 0.99 MAOA (0.49) MAOACHRM2SIGMAR1ALDH1A1CYP1A2
SCHEMBL16264650 0.96 CHRM2 (0.47) MAOACHRM2SIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29778290 0.94 CHRM2 (0.46) MAOACHRM2SIGMAR1ALDH1A1CYP1A2
SCHEMBL16264590 0.94 CHRM2 (0.45) MAOACHRM2SIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29778334 0.93 ALDH1A1 (0.46) MAOACHRM2SIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29778336 0.93 ALDH1A1 (0.46) MAOACHRM2SIGMAR1ALDH1A1CYP1A2
SCHEMBL16436986 0.92 HRH4 (0.49) MAOACHRM2SIGMAR1CYP1A2CYP2D6
SCHEMBL16436987 0.92 HRH4 (0.49) MAOACHRM2SIGMAR1CYP1A2CYP2D6
SCHEMBL16264621 0.90 CHRM2 (0.49) MAOACHRM2SIGMAR1CYP1A2CYP2D6
SCHEMBL29778343 0.90 CHRM2 (0.49) MAOACHRM2SIGMAR1CYP1A2CYP2D6

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 MAOA 116/4885CHRM2 3917/4885SIGMAR1 1551/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS MAOA 116/4885CHRM2 3986/4885SIGMAR1 1642/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MAOA 110/4885CHRM2 3947/4885SIGMAR1 1771/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MAOA 110/4885CHRM2 3947/4885SIGMAR1 1771/4885

“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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