SCHEMBL10154881

SCHEMBL10154881

Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCN(C(=O)Nc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.58
HDAC1 Q13547 5/20 0.58
HDAC10 Q969S8 5/20 0.58
HDAC8 Q9BY41 4/20 0.58
PTGDR2 Q9Y5Y4 3/20 0.54
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
HTR6 P50406 1/20 0.48
FAAH O00519 4/20 0.48
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PTGDR Q13258 1/20 0.47
HSD17B10 Q99714 1/20 0.45
FABP4 P15090 1/20 0.45

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
SCHEMBL8025075 0.87 PTGDR2 (0.56) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL10127779 0.85 PTGDR2 (0.55) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL10154883 0.83 HRH1 (0.48) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL12882387 0.82 HDAC6 (0.58) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL8036738 0.81 ADRA2A (0.58) HDAC6HDAC1HDAC10PTGDR2ADRA2A
SCHEMBL8038623 0.80 HRH1 (0.70) HDAC6HDAC1ADRA2ADRD2HTR2A
SCHEMBL10127781 0.78 PTGDR2 (0.61) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL8056983 0.77 HDAC6 (0.58) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL8034676 0.77 HDAC1 (0.51) HDAC6HDAC1PTGDR2ADRA2ADRD2
SCHEMBL620928 0.76 HTR6 (0.51) HDAC6HDAC1PTGDR2ADRA2ADRD2

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 5 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-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-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 HDAC6 197/4885HDAC1 263/4885HDAC10 693/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B HDAC6 2850/4885HDAC1 2402/4885HDAC10 1528/4885

“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.