SCHEMBL5236752

SCHEMBL5236752

CC(C)C(C#N)(CCCN1CCN(CCOc2cccc(Br)c2)CC1)c1ccc(C#N)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
CACNA1B Q00975 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 6/20 0.39
HTR7 P34969 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL5230681 0.90 CACNA1B (0.43) CACNA1BMEN1KMT2ALMNAMAPK1
SCHEMBL5242024 0.90 CACNA1B (0.42) KDM4ECACNA1BMEN1KMT2AALDH1A1
SCHEMBL14431932 0.90 L3MBTL1 (0.45) KDM4ECACNA1BMEN1KMT2AALDH1A1
SCHEMBL5243213 0.90 LMNA (0.50) KDM4ECACNA1BMEN1KMT2AALDH1A1
SCHEMBL5235391 0.90 CACNA1B (0.41) CACNA1BMEN1KMT2AHTR1AHTR7
SCHEMBL5241749 0.89 CACNA1B (0.48) CACNA1BMEN1HTR1A
SCHEMBL5240915 0.86 KDM4E (0.42) KDM4ECACNA1BPOLBGAAMEN1
SCHEMBL5241229 0.84 CACNA1B (0.43) CACNA1BMEN1KMT2ALMNAMAPK1
SCHEMBL5240703 0.84 ALDH1A1 (0.44) CACNA1BMEN1KMT2AALDH1A1HTR1A
SCHEMBL5752309 0.84 CACNA1B (0.52) KDM4ECACNA1BPOLBGAAMEN1

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 KDM4E 2814/4885CACNA1B 2/4885POLB 4044/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KDM4E 3270/4885CACNA1B 1/4885POLB 4249/4885

“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.