SCHEMBL17346152

SCHEMBL17346152

CCN(CCCNCCCSCc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL17346241 0.99 GRIN2B (0.41) GRIN2BDRD2DRD4DRD3SIGMAR1
SCHEMBL17346185 0.92 DRD3 (0.47) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL17346176 0.91 DRD3 (0.46) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL17346336 0.89 ACKR3 (0.43) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL17346372 0.88 L3MBTL1 (0.39) GRIN2BDRD2DRD4DRD3BCHE
SCHEMBL17346343 0.88 ACKR3 (0.44) SIGMAR1KMT2AACKR3
SCHEMBL17346412 0.87 SIGMAR1 (0.43) DRD2DRD4DRD3SIGMAR1ACKR3
SCHEMBL17346415 0.87 SIGMAR1 (0.43) DRD2DRD4DRD3SIGMAR1ACKR3
SCHEMBL17346367 0.87 GRIN2B (0.39) GRIN2BDRD2DRD4DRD3BCHE
SCHEMBL17346354 0.86 SIGMAR1 (0.41) DRD2DRD3SIGMAR1ACKR3

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 GRIN2B 2436/4885DRD2 501/4885DRD4 243/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN GRIN2B 2436/4885DRD2 501/4885DRD4 243/4885

“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.