SCHEMBL10127692

SCHEMBL10127692

Brc1cccc2c3c([nH]c12)CCCN(Cc1ccccc1)C3

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.57
BCHE P06276 1/20 0.50
AKR1B1 P15121 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL31465327 0.93 ACHE (0.67) ACHEAKR1B1HDAC1HDAC6MEN1
SCHEMBL12868556 0.79 ACHE (0.68) ACHEAKR1B1HDAC1HDAC6MEN1
SCHEMBL620103 0.78 ACHE (0.48) ACHEBCHE
SCHEMBL10127691 0.78 ACHE (0.65) ACHEBCHEAKR1B1
SCHEMBL8157824 0.74 NISCH (0.51) ACHEHDAC1HDAC6NISCH
SCHEMBL633048 0.73 ACHE (1.00) ACHEAKR1B1HDAC1HDAC6MEN1
SCHEMBL13356139 0.73 ACHE (0.65) ACHEBCHEAKR1B1HDAC1HDAC6
SCHEMBL6275705 0.73 NISCH (0.64) NISCHMEN1KMT2A
SCHEMBL17115290 0.73 NISCH (0.64) NISCHMEN1KMT2A
SCHEMBL17895754 0.72 NISCH (0.62) NISCHMEN1KMT2A

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 8 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
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
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP 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-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 WO 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 (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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC ACHE 735/4885BCHE 820/4885AKR1B1 437/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B ACHE 530/4885BCHE 1030/4885AKR1B1 1901/4885

“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.