SCHEMBL16439697

SCHEMBL16439697

CCCCNCCCNCCCNCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.70
MAOA P21397 1/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SIGMAR1 Q99720 5/20 0.61
HRH4 Q9H3N8 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 1/20 0.51
SCN8A Q9UQD0 1/20 0.51

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
SCHEMBL19479673 0.98 CHRM2 (0.74) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL29306651 0.96 CHRM2 (0.70) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL41690 0.96 MAOA (0.72) CHRM2MAOAMEN1KMT2ATDP1
Water SCHEMBL28180553 0.94 MAOA (0.69) CHRM2MAOAMEN1KMT2ATDP1
Bromide SCHEMBL2577914 0.94 MAOA (0.69) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL28054971 0.94 MAOA (0.69) CHRM2MAOAMEN1KMT2ATDP1
Ammonia Solution, Strong SCHEMBL28964330 0.94 MAOA (0.69) CHRM2MAOAMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL588959 0.94 MAOA (0.69) CHRM2MAOAMEN1KMT2ATDP1
Iodide SCHEMBL3001589 0.94 MAOA (0.69) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL5922298 0.90 CHRM2 (0.74) CHRM2MAOAMEN1KMT2ATDP1

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 9 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
US-20170298002-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES CURZA GLOBAL, LLC 2017-10-19 US disclosed
EP-3201170-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES Curza Global LLC (US) 2017-08-09 EP 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
WO-2016033115-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES CURZA GLOBAL, LLC (US) 2016-03-03 WO disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 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 (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 3917/4885MAOA 116/4885MEN1 1109/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CHRM2 3986/4885MAOA 116/4885MEN1 1586/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885MEN1 1222/4885
US-20170298002-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES SRM, PNMT, SMS CHRM2 2475/4885MAOA 678/4885MEN1 840/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885MEN1 1222/4885

“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.