SCHEMBL13293752

SCHEMBL13293752

CN1CCc2c(n(CC(=O)c3ccc(F)cc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
BAZ2B Q9UIF8 5/20 0.51
PTGDR2 Q9Y5Y4 4/20 0.48
IDO1 P14902 1/20 0.47
HTR6 P50406 3/20 0.46
HRH1 P35367 2/20 0.44
HTR5A P47898 1/20 0.43
PTGER2 P43116 1/20 0.42
PTGDR Q13258 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
SCHEMBL13293753 0.94 HDAC1 (0.57) HDAC1HDAC6BAZ2BPTGDR2IDO1
SCHEMBL12819815 0.93 HDAC1 (0.52) HDAC1HDAC6BAZ2BPTGDR2IDO1
SCHEMBL169055 0.93 HDAC1 (0.62) HDAC1HDAC6BAZ2BPTGDR2HTR6
SCHEMBL13293750 0.89 PTGDR2 (0.60) HDAC1HDAC6BAZ2BPTGDR2PTGER2
SCHEMBL13293755 0.88 HTR6 (0.57) HDAC1HDAC6PTGDR2HTR6HRH1
SCHEMBL3237234 0.88 HDAC1 (0.48) HDAC1HDAC6BAZ2BPTGDR2HTR6
SCHEMBL13293618 0.87 HDAC1 (0.48) HDAC1HDAC6BAZ2BPTGDR2HTR6
SCHEMBL12819794 0.86 HDAC1 (0.56) HDAC1HDAC6BAZ2BPTGDR2IDO1
SCHEMBL168946 0.86 HDAC6 (0.67) HDAC1HDAC6BAZ2BPTGDR2HTR6
SCHEMBL3236408 0.85 BAZ2B (0.53) HDAC1HDAC6BAZ2BPTGDR2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 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 (3 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-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HDAC1 1531/4885HDAC6 1266/4885BAZ2B 1409/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HDAC1 1531/4885HDAC6 1266/4885BAZ2B 1409/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HDAC1 1531/4885HDAC6 1266/4885BAZ2B 1409/4885

“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.