SCHEMBL5226924

SCHEMBL5226924

CC(C)C(C#N)(CCCN1CCC(NC(=O)OC(C)(C)C)C1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.65
CACNA1B Q00975 3/20 0.51
HRH2 P25021 5/20 0.47
HRH1 P35367 5/20 0.47
CTSK P43235 2/20 0.46
CCR5 P51681 1/20 0.46
DRD2 P14416 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR3 P51677 1/20 0.40
NSD2 O96028 1/20 0.39

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
SCHEMBL5229517 0.84 KCNA3 (0.49) KCNA3CACNA1BHRH2HRH1CTSK
SCHEMBL5234136 0.79 CACNA1B (0.55) KCNA3CACNA1BL3MBTL1CCR3
SCHEMBL5753510 0.78 KCNA3 (0.46) KCNA3CACNA1BCHRM2CHRM3CCR3
SCHEMBL6079039 0.77 CCR5 (0.60) KCNA3HRH2HRH1CTSKCCR5
SCHEMBL5230728 0.77 CACNA1B (0.47) KCNA3CACNA1BHRH2HRH1CHRM2
SCHEMBL6079046 0.77 CCR5 (0.60) KCNA3HRH2HRH1CTSKCCR5
SCHEMBL7724067 0.77 KCNA3 (0.59) KCNA3CTSKCCR5DRD2KMT2A
SCHEMBL7724060 0.77 KCNA3 (0.59) KCNA3CTSKCCR5DRD2KMT2A
SCHEMBL13583442 0.75 CTSK (0.54) KCNA3HRH2HRH1CTSKCCR5
SCHEMBL13583443 0.75 CTSK (0.54) KCNA3HRH2HRH1CTSKCCR5

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-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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 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 (3 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH KCNA3 105/4885CACNA1B 1580/4885HRH2 169/4885
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E KCNA3 278/4885CACNA1B 2/4885HRH2 66/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KCNA3 225/4885CACNA1B 1/4885HRH2 62/4885

“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.