SCHEMBL5228948

SCHEMBL5228948

N#CCCN(CCOc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
MEN1 O00255 2/20 0.42
SCN9A Q15858 1/20 0.42
THRB P10828 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL14528025 0.90 HRH3 (0.53) HRH3HRH2HRH1MEN1SCN9A
SCHEMBL5239969 0.78 MEN1 (0.51) HRH3HRH2HRH1MEN1
SCHEMBL14432546 0.78 MEN1 (0.51) HRH3HRH2HRH1MEN1
SCHEMBL5238170 0.73 SLC6A2 (0.43) HRH3HRH2HRH1ALDH1A1
SCHEMBL14432337 0.72 HRH3 (0.46) HRH3HRH2HRH1MEN1
SCHEMBL12460719 0.71 HRH3 (0.56) HRH3HRH2HRH1MEN1ALDH1A1
SCHEMBL1682278 0.71 THRB (0.57) HRH3MEN1THRBALDH1A1
SCHEMBL5622767 0.70 HRH3 (0.50) HRH3HRH2HRH1MEN1ALDH1A1
SCHEMBL1715453 0.70 HRH3 (0.50) HRH3HRH2HRH1MEN1
SCHEMBL4227981 0.70 HRH3 (1.00) HRH3THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E HRH3 124/4885HRH2 66/4885HRH1 63/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D HRH3 63/4885HRH2 62/4885HRH1 55/4885

“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.