SCHEMBL1462399

SCHEMBL1462399

OC(CN1CCC(N2CCCCC2)CC1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
BLM P54132 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 1/20 0.51
IGF1R P08069 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.45

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
SCHEMBL1460371 0.86 HRH3 (0.53) KDM4ETSHRGRIN2BIGF1RMEN1
SCHEMBL1461382 0.86 GMNN (0.55) KDM4EGMNNTP53CYP3A4ALOX15
SCHEMBL1460271 0.86 MEN1 (0.59) KDM4ETSHRMEN1ALDH1A1KMT2A
SCHEMBL11793425 0.85 SIGMAR1 (0.53) KDM4EGAASIGMAR1
SCHEMBL1461553 0.85 TACR1 (0.47) KDM4EGRIN2BIGF1RMEN1ALDH1A1
SCHEMBL1460278 0.84 MEN1 (0.61) KDM4EMEN1KMT2AL3MBTL1GAA
SCHEMBL11968945 0.83 IGF1R (0.53) KDM4EGRIN1GRIN2BIGF1RMEN1
SCHEMBL1460466 0.83 GRIN1 (0.45) GRIN1GRIN2BMEN1KMT2ASLC18A3
SCHEMBL11969486 0.81 HRH3 (0.45) TP53HTTIGF1RMEN1ALDH1A1
SCHEMBL1460382 0.81 DRD2 (0.53) KDM4EMEN1ALDH1A1KMT2AL3MBTL1

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
EP-2475643-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-18 EP disclosed
WO-2011026959-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 KDM4E 1676/4885GMNN 2536/4885TP53 4537/4885

“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.