SCHEMBL5230728

SCHEMBL5230728

CC(C)C(C#N)(CCCN1CCC(N)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.47
EBP Q15125 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CCR3 P51677 2/20 0.45
KCNA3 P22001 4/20 0.44
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CHRM2 P08172 3/20 0.41
CHRM3 P20309 3/20 0.41
MEN1 O00255 2/20 0.41
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL14431859 0.84 CCR3 (0.54) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL5240018 0.82 RAB9A (0.52) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL14431854 0.81 SIGMAR1 (0.51) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL14431920 0.81 RAB9A (0.58) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL5234136 0.80 CACNA1B (0.55) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL5234934 0.80 HRH2 (0.41) CACNA1BCCR3HRH2HRH1HRH3
SCHEMBL5235995 0.80 CHRM4 (0.54) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL5754473 0.79 SIGMAR1 (0.49) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL5750440 0.79 CCR3 (0.52) CACNA1BEBPSIGMAR1CCR3KCNA3
SCHEMBL5237846 0.78 SIGMAR1 (0.60) CACNA1BEBPSIGMAR1CCR3KCNA3

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 CACNA1B 2/4885EBP 560/4885SIGMAR1 143/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CACNA1B 1/4885EBP 964/4885SIGMAR1 133/4885

“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.