SCHEMBL5240756

SCHEMBL5240756

CC(C)C(C#N)(CCCN1CCN(CCOc2ccc(C#N)cc2F)CC1)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.42
HRH3 Q9Y5N1 4/20 0.40
MEN1 O00255 4/20 0.35
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 3/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
LTA4H P09960 1/20 0.33
AR P10275 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ICMT O60725 1/20 0.32
ABCB1 P08183 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
SCHEMBL5241698 0.87 MEN1 (0.46) CACNA1BHRH3MEN1HRH2HRH1
SCHEMBL5273490 0.86 CACNA1B (0.41) CACNA1BCYP3A4CTSSCTSKAR
SCHEMBL5235394 0.85 CACNA1B (0.41) CACNA1BHRH3MEN1KMT2ACTSS
SCHEMBL5241063 0.84 CACNA1B (0.47) CACNA1BHRH3MEN1KMT2AHRH2
SCHEMBL5238510 0.81 CACNA1B (0.45) CACNA1BHRH3MEN1KMT2A
SCHEMBL5239443 0.80 CACNA1B (0.40) CACNA1BMEN1CYP3A4LTA4HHRH2
SCHEMBL5239435 0.79 CACNA1B (0.43) CACNA1BHRH3MEN1KMT2ALTA4H
SCHEMBL5238853 0.78 CACNA1B (0.42) CACNA1BHRH3MEN1LTA4HHRH2
SCHEMBL5751449 0.76 KDM4E (0.48) CACNA1BMEN1CYP3A4KMT2ALTA4H
SCHEMBL5241127 0.76 CACNA1B (0.46) CACNA1BHRH3ABCB1

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 2/4885HRH3 124/4885MEN1 3051/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CACNA1B 1/4885HRH3 63/4885MEN1 2708/4885

“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.