SCHEMBL5237967

SCHEMBL5237967

CC(C)C(C#N)(CCCN1CCN(CCOc2ccc(S(C)(=O)=O)cc2)CC1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.42
RAB9A P51151 1/20 0.41
CACNA1B Q00975 3/20 0.40
MEN1 O00255 3/20 0.40
IKBKB O14920 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL14432557 0.88 KCNA5 (0.52) KCNA5CACNA1BMEN1HRH3HRH2
SCHEMBL5241348 0.88 CACNA1B (0.49) KCNA5RAB9ACACNA1BMEN1HRH1
SCHEMBL5753210 0.87 KCNA5 (0.48) KCNA5CACNA1BMEN1HRH3HRH1
SCHEMBL5241570 0.86 MEN1 (0.41) KCNA5CACNA1BMEN1HRH3ESR1
SCHEMBL5272490 0.86 CACNA1B (0.41) KCNA5RAB9ACACNA1BMEN1HRH3
SCHEMBL5238853 0.84 CACNA1B (0.42) CACNA1BMEN1IKBKBHRH3ESR1
SCHEMBL5229426 0.83 CACNA1B (0.44) KCNA5RAB9ACACNA1BMEN1IKBKB
SCHEMBL14431852 0.82 KCNA5 (0.49) KCNA5RAB9ACACNA1BHRH1
SCHEMBL5240694 0.81 HTR1A (0.43) KCNA5RAB9ACACNA1BMEN1
SCHEMBL5240915 0.81 KDM4E (0.42) KCNA5CACNA1BMEN1L3MBTL1HRH3

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 KCNA5 180/4885RAB9A 3180/4885CACNA1B 2/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KCNA5 149/4885RAB9A 3247/4885CACNA1B 1/4885

“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.