SCHEMBL3240301

SCHEMBL3240301

Cc1ccc2c(c1)c1c(n2CC(=O)NC(C)C)CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 1/20 0.50
BCHE P06276 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
HRH1 P35367 7/20 0.48
HTR6 P50406 7/20 0.48
ADRA2A P08913 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.48
DRD2 P14416 1/20 0.47

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
SCHEMBL3318928 0.93 HDAC6 (0.59) HSD17B10HDAC6HDAC1BCHEGRIN2D
SCHEMBL3238171 0.88 BAZ2B (0.57) HSD17B10HDAC6HDAC1PTGDR2PTGDR
SCHEMBL3238010 0.83 HSD17B10 (0.53) HSD17B10HDAC6HDAC1BCHEHRH1
SCHEMBL13534242 0.83 HRH1 (0.60) HDAC6HDAC1BCHEGRIN2DGRIN3B
SCHEMBL3238153 0.83 MARK4 (0.53) HSD17B10HDAC6HDAC1BCHEGRIN2D
SCHEMBL3231211 0.82 HSD17B10 (0.56) HSD17B10HDAC6HDAC1BCHEGRIN2D
SCHEMBL3235751 0.81 HSD17B10 (0.55) HSD17B10HDAC6HDAC1BCHEGRIN2D
SCHEMBL3235293 0.81 HTR6 (0.54) HSD17B10HDAC6HDAC1GRIN2DGRIN3B
SCHEMBL13781432 0.81 HSD17B10 (0.52) HSD17B10PTGDR2KMT2AMEN1PTGDR
SCHEMBL13293751 0.79 PTGDR2 (0.61) HSD17B10HDAC6HDAC1BCHEGRIN2D

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 15 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-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-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-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
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 (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 HSD17B10 2416/4885HDAC6 1266/4885HDAC1 1531/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HSD17B10 2416/4885HDAC6 1266/4885HDAC1 1531/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HSD17B10 2416/4885HDAC6 1266/4885HDAC1 1531/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HSD17B10 2416/4885HDAC6 1266/4885HDAC1 1531/4885

“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.