SCHEMBL5241908

SCHEMBL5241908

CC(C)C(C#N)(CCCN1CCN(CCOc2cccc(C#N)c2)CC1)c1cccn1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.44
HRH1 P35367 3/20 0.44
CCR3 P51677 1/20 0.44
TBXAS1 P24557 1/20 0.41
HRH2 P25021 2/20 0.40
MEN1 O00255 2/20 0.39
ACACB O00763 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HTR2C P28335 1/20 0.36
GCK P35557 1/20 0.36

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
SCHEMBL5753857 0.86 CACNA1B (0.54) CACNA1BHRH1CCR3HRH2MEN1
SCHEMBL5227355 0.83 CACNA1B (0.44) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL5229426 0.83 CACNA1B (0.44) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL5235243 0.83 CACNA1B (0.44) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL5241063 0.82 CACNA1B (0.47) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL5230681 0.82 CACNA1B (0.43) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL5228581 0.82 CACNA1B (0.43) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL14431848 0.81 CACNA1B (0.46) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL5241229 0.81 CACNA1B (0.43) CACNA1BHRH1CCR3TBXAS1HRH2
SCHEMBL14432344 0.81 CACNA1B (0.42) CACNA1BHRH1CCR3TBXAS1HRH2

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 CACNA1B 2/4885HRH1 63/4885CCR3 1951/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CACNA1B 1/4885HRH1 55/4885CCR3 1977/4885

“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.