SCHEMBL3229643

SCHEMBL3229643

CN1CCc2c(n(C#Cc3ccc(F)cc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.45
HTR6 P50406 10/20 0.40
BAZ2B Q9UIF8 1/20 0.38
HRH1 P35367 3/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL3231732 0.93 BAZ2B (0.40) HTR5AHTR6BAZ2BHDAC1HDAC6
SCHEMBL3025554 0.92 HTR6 (0.49) HTR5AHTR6BAZ2BHRH1HDAC1
SCHEMBL13654445 0.92 HTR5A (0.45) HTR5AHTR6BAZ2BHRH1HDAC1
SCHEMBL3233219 0.86 HTR5A (0.38) HTR5AHTR6BAZ2BHRH1HDAC1
SCHEMBL3037477 0.85 HDAC1 (0.46) HTR5AHTR6BAZ2BHRH1HDAC1
SCHEMBL13654450 0.85 MCHR1 (0.43) HTR5AHTR6BAZ2BHRH1HDAC1
SCHEMBL3033483 0.83 HTR6 (0.57) HTR6HRH1
SCHEMBL13663441 0.83 MCHR1 (0.38) HTR5AHTR6BAZ2BHRH1HDAC1
SCHEMBL18155176 0.82 HTR6 (0.41) HTR5AHTR6BAZ2BHRH1HDAC1
SCHEMBL13654448 0.81 HTR5A (0.40) HTR5A

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 16 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-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-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-31 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-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-8569287-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-29 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-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
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US 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 (4 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 HTR5A 2/4885HTR6 14/4885BAZ2B 1409/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HTR5A 2/4885HTR6 14/4885BAZ2B 1409/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HTR5A 2/4885HTR6 14/4885BAZ2B 1409/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HTR5A 2/4885HTR6 14/4885BAZ2B 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.