SCHEMBL17346307

SCHEMBL17346307

CN(CCNCCCSc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.54
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
TMEM97 Q5BJF2 3/20 0.49
DRD3 P35462 2/20 0.49
FDPS P14324 2/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL17346317 0.85 DRD2 (0.51) ACKR3DRD2DRD4DRD3FDPS
SCHEMBL17346320 0.84 DRD2 (0.50) ACKR3DRD2DRD4SIGMAR1DRD3
SCHEMBL17346025 0.83 DRD3 (0.47) ACKR3DRD2DRD4DRD3FDPS
SCHEMBL17346359 0.83 DRD2 (0.55) DRD2DRD4DRD3FDPSKMT2A
SCHEMBL17346301 0.83 DRD2 (0.49) ACKR3DRD2DRD4SIGMAR1DRD3
SCHEMBL17345992 0.82 DRD2 (0.46) ACKR3DRD2DRD4SIGMAR1DRD3
SCHEMBL17346100 0.82 DRD2 (0.46) ACKR3DRD2DRD4SIGMAR1DRD3
SCHEMBL17346033 0.82 DRD2 (0.46) ACKR3DRD2DRD4DRD3FDPS
SCHEMBL17346001 0.81 DRD2 (0.45) ACKR3DRD2DRD4SIGMAR1DRD3
SCHEMBL11117593 0.80 SIGMAR1 (0.55) ACKR3SIGMAR1TMEM97CARM1PRMT6

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 ACKR3 1678/4885DRD2 501/4885DRD4 243/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN ACKR3 1678/4885DRD2 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.