SCHEMBL343645

SCHEMBL343645

NCCC(NC(CCN)c1ccccn1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KCNA5 P22460 5/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KCNE1 P15382 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CXCR4 P61073 3/20 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
SCHEMBL3224199 0.79 HRH1 (0.45) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL342990 0.77 CHRM2 (0.62) HRH1SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL5846124 0.77 HRH1 (0.44) HRH1SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL28631671 0.77 HRH1 (0.44) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL8317919 0.76 HRH1 (0.42) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL5568073 0.76 KDM4E (0.46) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL40517 0.75 HRH1 (0.42) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL9812324 0.74 SLC6A2 (0.63) HRH1SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL42821 0.74 CXCR4 (0.41) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL30137681 0.72 HRH1 (0.53) HRH1SLC6A2SLC6A4SLC6A3TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338600-B2 Copper-oxygen adduct complexes, and methods of making and use JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2012-12-25 US disclosed
EP-2215096-B1 COPPER-OXYGEN ADDUCT COMPLEXES UNIV GIESSEN JUSTUS LIEBIG (DE) 2012-09-19 EP disclosed
US-20120016127-A1 COPPER-OXYGEN ADDUCT COMPLEXES JUSTUS-LIEBIG-UNIVERSITAET GIESSEN (DE) 2012-01-19 US disclosed
EP-2215096-A1 COPPER-OXYGEN ADDUCT COMPLEXES Justus-Liebig-Universität Gießen (DE) 2010-08-11 EP disclosed
WO-2009052809-A1 COPPER-OXYGEN ADDUCT COMPLEXES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2009-04-30 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 (1 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-20120016127-A1 COPPER-OXYGEN ADDUCT COMPLEXES AOC2, AOC3, AOC1 HRH1 1483/4885SLC6A2 1140/4885SLC6A4 1085/4885

“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.