SCHEMBL5239443

SCHEMBL5239443

Cc1csc(OCCN2CCN(CCCC(C#N)(c3ccsc3)C(C)C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.40
CYP3A4 P08684 2/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB1 P08183 2/20 0.30
LTA4H P09960 1/20 0.30
CCR3 P51677 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CACNA1F O60840 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2C P18825 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
SCHEMBL5272498 0.85 CACNA1B (0.38) CACNA1BHRH2HRH1HTTSMN1; SMN2
SCHEMBL5241698 0.83 MEN1 (0.46) CACNA1BHRH2HRH1MEN1
SCHEMBL5238853 0.81 CACNA1B (0.42) CACNA1BHRH2HRH1LTA4HMEN1
SCHEMBL5238510 0.81 CACNA1B (0.45) CACNA1BHTTSMN1; SMN2MEN1LMNA
SCHEMBL5241063 0.81 CACNA1B (0.47) CACNA1BHRH2HRH1HTTSMN1; SMN2
SCHEMBL5239435 0.81 CACNA1B (0.43) CACNA1BHRH2HRH1LTA4HMEN1
SCHEMBL5240756 0.80 CACNA1B (0.42) CACNA1BCYP3A4HRH2HRH1ABCB1
SCHEMBL5273490 0.80 CACNA1B (0.41) CACNA1BCYP3A4ABCB1LMNATSHR
SCHEMBL5241127 0.79 CACNA1B (0.46) CACNA1BABCB1ALDH1A1HTR1ADRD2
SCHEMBL5752940 0.74 CACNA1B (0.48) CACNA1BHRH2HRH1HTTLTA4H

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
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 2/4885CYP3A4 1892/4885HRH2 66/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CACNA1B 1/4885CYP3A4 1186/4885HRH2 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.