SCHEMBL13306337

SCHEMBL13306337

CN1CCc2c(n(CC(CC(=O)CN)c3ccncn3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.42
HDAC1 Q13547 4/20 0.42
BAZ2B Q9UIF8 5/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.35
HRH1 P35367 4/20 0.35
HTR6 P50406 4/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
BCHE P06276 2/20 0.33

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
SCHEMBL10315927 0.94 HDAC6 (0.49) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL12820339 0.94 HDAC6 (0.42) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL13293826 0.91 BAZ2B (0.44) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL13293820 0.89 HDAC6 (0.41) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL13293850 0.89 BAZ2B (0.47) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL13306339 0.85 HDAC6 (0.42) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL169853 0.85 HDAC6 (0.51) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL13834592 0.85 HDAC1 (0.43) HDAC6HDAC1BAZ2BPTGDR2HRH1
SCHEMBL13306585 0.84 HDAC1 (0.47) HDAC6HDAC1BAZ2BPTGDR2GRIN2D
SCHEMBL13834643 0.83 HDAC6 (0.41) HDAC6HDAC1BAZ2BHRH1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 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-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION 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-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO 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 (6 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2844/4885HDAC1 1375/4885BAZ2B 576/4885
US-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HDAC6 1266/4885HDAC1 1531/4885BAZ2B 1409/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C HDAC6 3173/4885HDAC1 2449/4885BAZ2B 669/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HDAC6 1266/4885HDAC1 1531/4885BAZ2B 1409/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2844/4885HDAC1 1375/4885BAZ2B 576/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HDAC6 1266/4885HDAC1 1531/4885BAZ2B 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.