SCHEMBL16247106

SCHEMBL16247106

CC(C)CNCCCNCCC(N)Cc1cccc(CC(N)CCNCCCNCC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.37
▸ TAAR1 Q96RJ0 4/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ SIGMAR1 Q99720 3/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ RNPEP Q9H4A4 1/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35

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
SCHEMBL18223039 0.92 MAP4K4 (0.34) PNMTTAAR1CHRM2SIGMAR1
SCHEMBL16428817 0.85 ERAP2 (0.35) KCNH2ANPEPRNPEPDNPEP
SCHEMBL21632660 0.85 HDAC1 (0.36) SLC6A4ANPEPRNPEPDNPEP
SCHEMBL16247107 0.84 CA2 (0.31) —
SCHEMBL21632659 0.84 BCHE (0.35) HTR2AHTR2CHTR2B
SCHEMBL16429433 0.84 CHRNA1 (0.42) CHRM2
SCHEMBL14364960 0.83 EPHX1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL16429080 0.83 MEN1 (0.46) SIGMAR1
SCHEMBL16428819 0.83 CYP1A2 (0.49) CHRM2SIGMAR1
SCHEMBL16428821 0.83 CYP1A2 (0.49) CHRM2SIGMAR1

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 8 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-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
EP-2999345-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE Curza Global LLC (US) 2016-03-30 — — EP 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 PNMT 80/4885TAAR1 1860/4885CHRM2 3917/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS PNMT 56/4885TAAR1 1870/4885CHRM2 3986/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS PNMT 126/4885TAAR1 2041/4885CHRM2 3947/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS PNMT 126/4885TAAR1 2041/4885CHRM2 3947/4885

“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.

Send feedback