SCHEMBL5273447

SCHEMBL5273447

Cc1cccc(OCCN2CCN(CCCC(C#N)(c3cccs3)C(C)C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
CACNA1B Q00975 3/20 0.37
HTR1A P08908 3/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
CCR1 P32246 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 3/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL5238112 0.90 CACNA1B (0.35) CACNA1BHTR1ADRD2HTR2ACCR1
SCHEMBL5237180 0.90 CTSS (0.39) CACNA1BHTR1ADRD2HTR2ACCR1
SCHEMBL5241662 0.90 CACNA1B (0.35) CACNA1BHTR1ADRD2HTR2ACCR1
SCHEMBL5240382 0.89 CACNA1B (0.34) CACNA1BHTR1ADRD2HTR2ACCR1
SCHEMBL5238789 0.88 CACNA1B (0.36) CACNA1BHTR1ADRD2HTR2ACCR1
SCHEMBL5238080 0.87 CACNA1B (0.38) CACNA1BHTR1ADRD2HTR2ACCR1
SCHEMBL5241348 0.83 CACNA1B (0.49) CACNA1BHTR1ADRD2HTR2ACCR1
SCHEMBL5272498 0.82 CACNA1B (0.38) CACNA1BHTR1AHTR2ACCR1MEN1
SCHEMBL5241670 0.82 CACNA1B (0.38) CACNA1BDRD2CCR1
SCHEMBL14432557 0.81 KCNA5 (0.52) CACNA1BMEN1KCNA5HRH2HRH1

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 6 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-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 KDM1A 1919/4885CACNA1B 2/4885HTR1A 126/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KDM1A 3412/4885CACNA1B 1/4885HTR1A 202/4885

“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.