SCHEMBL17345925

SCHEMBL17345925

CSCCCN(CCCN1CCCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
HRH3 Q9Y5N1 5/20 0.43
SIGMAR1 Q99720 4/20 0.42
DRD3 P35462 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2B P41595 1/20 0.41
F2R P25116 1/20 0.40
LTA4H P09960 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL17345923 0.88 POLB (0.48) HTR7SIGMAR1
SCHEMBL17346207 0.82 SIGMAR1 (0.46) HTR7HRH3SIGMAR1DRD3F2R
SCHEMBL17346252 0.81 SIGMAR1 (0.47) HRH3SIGMAR1F2RLTA4HSLC6A3
SCHEMBL17346358 0.80 SIGMAR1 (0.46) HTR7HRH3SIGMAR1DRD3F2R
SCHEMBL17346017 0.79 LTA4H (0.49) HRH3SIGMAR1LTA4H
SCHEMBL17345919 0.75 HTR2A (0.41) HTR7SIGMAR1
SCHEMBL17346215 0.75 SIGMAR1 (0.46) HRH3SIGMAR1
SCHEMBL5759101 0.74 HTR7 (0.56) HTR7HRH3SIGMAR1DRD3ADRA2A
SCHEMBL17346053 0.74 POLB (0.44) HRH3SIGMAR1DRD3LTA4HDRD2
SCHEMBL13305330 0.73 SIGMAR1 (0.56) HTR7HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 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 (2 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN HTR7 3866/4885HRH3 1174/4885SIGMAR1 412/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN HTR7 3866/4885HRH3 1174/4885SIGMAR1 412/4885

“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.