SCHEMBL10155029

SCHEMBL10155029

Cc1ccc2c(c1)c1c(n2Cc2ccc(F)cc2)CCCNC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.61
ACHE P22303 2/20 0.61
RIPK3 Q9Y572 3/20 0.53
ALB P02768 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44

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
SCHEMBL10155030 0.90 BCHE (0.60) BCHEACHEALBKMT2A
SCHEMBL10155031 0.84 BCHE (0.66) BCHEACHEALBHDAC1HDAC6
SCHEMBL6920465 0.84 HDAC1 (0.64) RIPK3HDAC1HDAC6CACNB4CACNA1A
SCHEMBL10155065 0.79 HTR6 (0.51) HDAC1HDAC6CACNB4CACNA1ACACNA1G
SCHEMBL14895869 0.76 HDAC1 (0.57) BCHEACHERIPK3HDAC1HDAC6
SCHEMBL14894238 0.75 HDAC1 (0.56) BCHEACHERIPK3HDAC1HDAC6
SCHEMBL6923513 0.74 HDAC1 (0.76) BCHEACHEHDAC1HDAC6
SCHEMBL14896064 0.74 HDAC1 (0.73) HDAC1HDAC6
SCHEMBL6925062 0.74 PTGS1 (0.58) HDAC1HDAC6CACNB4CACNA1ACACNA1G
SCHEMBL30667637 0.73 PTGS1 (0.46) HDAC1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP disclosed
WO-2008024029-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-02-28 WO 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 (1 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC BCHE 820/4885ACHE 735/4885RIPK3 1298/4885

“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.