SCHEMBL11968898

SCHEMBL11968898

NC(CN1CCN(c2cnccn2)CC1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
DRD4 P21917 3/20 0.57
MAPT P10636 1/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
SORD Q00796 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41

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
SCHEMBL12826993 0.85 KDM4E (0.48) DRD2DRD3DRD4MAPTACHE
SCHEMBL11968814 0.85 IGF1R (0.55) DRD2DRD3DRD4MAPTACHE
SCHEMBL4498037 0.77 HRH3 (0.46) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL11994091 0.77 MAPT (0.47) DRD2DRD3DRD4MAPTACHE
SCHEMBL1461289 0.77 DRD2 (0.48) DRD2DRD3DRD4MAPTACHE
SCHEMBL11968974 0.75 SLC6A2 (0.46) DRD2DRD3DRD4MAPTACHE
SCHEMBL11968975 0.74 IGF1R (0.48) DRD2DRD3DRD4MAPTACHE
SCHEMBL11968905 0.74 DRD2 (0.43) DRD2DRD3DRD4MAPTACHE
SCHEMBL23377916 0.73 ACHE (0.51) ACHEKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL12468037 0.73 ACHE (0.47) ACHEKDM4ESLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 DRD2 1519/4885DRD3 2471/4885DRD4 1475/4885

“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.