SCHEMBL1461311

SCHEMBL1461311

COCCN1CCN(C(CN2CCC(N3CCCC3)CC2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.47
▸ MC4R P32245 6/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SLC2A1 P11166 1/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TACR1 P25103 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
SCHEMBL11994090 0.99 HRH3 (0.48) HRH3MC4RL3MBTL3L3MBTL1CCR3
SCHEMBL11994119 0.96 HRH3 (0.46) HRH3MC4RL3MBTL3L3MBTL1CCR3
SCHEMBL11968948 0.93 MC4R (0.48) HRH3MC4RL3MBTL3L3MBTL1SLC2A1
SCHEMBL11968837 0.92 MC4R (0.48) MC4R
SCHEMBL11969328 0.91 SIGMAR1 (0.44) HRH3MC4RSLC2A1MEN1KMT2A
SCHEMBL11969107 0.90 MC4R (0.42) MC4RSLC2A1MEN1KMT2ATACR1
SCHEMBL11994122 0.89 HRH3 (0.57) HRH3MC4RCCR3
SCHEMBL11968882 0.88 HRH3 (0.56) HRH3MC4RCCR3
SCHEMBL11968971 0.88 HRH3 (0.52) HRH3MC4RCCR3
SCHEMBL11968848 0.88 MC4R (0.46) HRH3MC4RL3MBTL3L3MBTL1SLC2A1

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 6 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
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
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 HRH3 270/4885MC4R 1684/4885L3MBTL3 4801/4885

“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.

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