SCHEMBL11968882

SCHEMBL11968882

COCCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.56
▸ MC4R P32245 7/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CHRM2 P08172 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL11994122 0.91 HRH3 (0.57) HRH3MC4RCHRM2CHRM1CCR3
SCHEMBL11968870 0.90 MC4R (0.53) HRH3MC4RCCR3
SCHEMBL11968971 0.90 HRH3 (0.52) HRH3MC4RCHRM2CHRM1CCR3
SCHEMBL11994090 0.89 HRH3 (0.48) HRH3MC4RCCR3
SCHEMBL1461311 0.88 HRH3 (0.47) HRH3MC4RCCR3
SCHEMBL11994125 0.88 HRH3 (0.57) HRH3MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL27874879 0.88 HRH3 (0.45) HRH3MC4RCCR3
SCHEMBL11968875 0.87 HRH3 (0.47) HRH3MC4RCHRM2CHRM1CCR3
SCHEMBL11968978 0.87 HRH3 (0.45) HRH3MC4RSLC6A4
SCHEMBL11968881 0.87 HRH3 (0.49) HRH3MC4RCCR3

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-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
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 1684/4885CYP3A4 1938/4885

“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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