SCHEMBL5237180

SCHEMBL5237180

CC(C)C(C#N)(CCCN1CCN(CCOc2cccc(C#N)n2)CC1)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KCNA5 P22460 4/20 0.36
CACNA1B Q00975 3/20 0.35
HTR1A P08908 3/20 0.34
DRD2 P14416 3/20 0.34
HTR2A P28223 3/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
KCNH2 Q12809 1/20 0.32
CCR1 P32246 1/20 0.32
SCN7A Q01118 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.30

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
SCHEMBL5273447 0.90 KDM1A (0.39) KCNA5CACNA1BHTR1ADRD2HTR2A
SCHEMBL5241662 0.90 CACNA1B (0.35) CTSSCTSKKCNA5CACNA1BHTR1A
SCHEMBL5238112 0.90 CACNA1B (0.35) CTSSCTSKKCNA5CACNA1BHTR1A
SCHEMBL5240382 0.88 CACNA1B (0.34) CTSSCTSKKCNA5CACNA1BHTR1A
SCHEMBL5238789 0.87 CACNA1B (0.36) KCNA5CACNA1BHTR1ADRD2HTR2A
SCHEMBL5240752 0.87 CTSS (0.37) CTSSCTSKCACNA1BHTR1ADRD2
SCHEMBL5238080 0.86 CACNA1B (0.38) KCNA5CACNA1BHTR1ADRD2HTR2A
SCHEMBL14432557 0.84 KCNA5 (0.52) KCNA5CACNA1BMEN1HRH3HRH2
SCHEMBL5241348 0.82 CACNA1B (0.49) KCNA5CACNA1BHTR1ADRD2HTR2A
SCHEMBL5753210 0.82 KCNA5 (0.48) KCNA5CACNA1BHTR1ADRD2HTR2A

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
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-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 CTSS 4271/4885CTSK 4104/4885KCNA5 180/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CTSS 4013/4885CTSK 3943/4885KCNA5 149/4885

“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.