SCHEMBL5239773

SCHEMBL5239773

CC(C)C(C#N)(CCCN1CCC(NCCC#[N+]CCOc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.60
MEN1 O00255 10/20 0.44
CCR1 P32246 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL5274510 0.88 CACNA1B (0.50) CACNA1BMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL5240648 0.87 CACNA1B (0.48) CACNA1BMEN1
SCHEMBL14432339 0.82 CACNA1B (0.55) CACNA1BMEN1SLC6A4SLC6A3
SCHEMBL5751875 0.82 HTR1A (0.54) CACNA1BMEN1
SCHEMBL2866236 0.81 CACNA1B (0.52) CACNA1BMEN1CCR1
Hydrochloric Acid SCHEMBL5754015 0.80 CACNA1B (0.53) CACNA1BMEN1CCR1
SCHEMBL5751358 0.80 HTR1A (0.54) CACNA1BMEN1
SCHEMBL14431698 0.79 CACNA1B (0.54) CACNA1BMEN1
SCHEMBL5752603 0.79 CACNA1B (0.50) CACNA1BMEN1
SCHEMBL5237156 0.78 CACNA1B (0.49) CACNA1BMEN1

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 CACNA1B 2/4885MEN1 3051/4885CCR1 735/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CACNA1B 1/4885MEN1 2708/4885CCR1 1498/4885

“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.