SCHEMBL5239969

SCHEMBL5239969

CC(C)C(C#N)(CCCN1CCC(N(CCC#N)CCOc2ccc(C#N)cc2)C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 17/20 0.51
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CACNA1B Q00975 2/20 0.47
KMT2A Q03164 1/20 0.44

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
SCHEMBL14432546 1.00 MEN1 (0.51) MEN1HRH2HRH1HRH3CACNA1B
SCHEMBL5239827 0.93 CACNA1B (0.48) MEN1HRH2HRH1HRH3CACNA1B
SCHEMBL5240110 0.88 CACNA1B (0.43) MEN1HRH2HRH1HRH3CACNA1B
SCHEMBL5237156 0.88 CACNA1B (0.49) MEN1CACNA1B
SCHEMBL14432337 0.88 HRH3 (0.46) MEN1HRH2HRH1HRH3CACNA1B
SCHEMBL6013683 0.88 CACNA1B (0.46) MEN1HRH2HRH1HRH3CACNA1B
SCHEMBL5240777 0.81 CACNA1B (0.40) MEN1HRH2HRH1HRH3CACNA1B
SCHEMBL5754105 0.79 MEN1 (0.59) MEN1CACNA1BKMT2A
SCHEMBL5228948 0.78 HRH3 (0.53) MEN1HRH2HRH1HRH3
SCHEMBL14431917 0.76 CACNA1B (0.40) MEN1HRH2HRH1HRH3CACNA1B

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 5 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
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 MEN1 3051/4885HRH2 66/4885HRH1 63/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D MEN1 2708/4885HRH2 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.