SCHEMBL3243033

SCHEMBL3243033

Cc1ccc2c(c1)c1c(n2CC(=O)N2CCC(C)CC2)CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 2/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.48
HRH1 P35367 5/20 0.47
HTR6 P50406 4/20 0.47
ADRA2A P08913 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
ADRA1A P35348 2/20 0.47
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
DRD2 P14416 1/20 0.45
CNR1 P21554 3/20 0.45
MAPT P10636 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 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
SCHEMBL13696220 0.93 HRH1 (0.56) KDM4EMAPK1TDP1L3MBTL1PTGDR2
SCHEMBL3231211 0.89 HSD17B10 (0.56) KDM4EHSD17B10PTGDR2HRH1HTR6
SCHEMBL3237875 0.89 BAZ2B (0.53) PTGDR2HDAC6HDAC1CNR1MAPT
SCHEMBL13293648 0.88 KDM4E (0.52) KDM4EMAPK1TDP1L3MBTL1HSD17B10
SCHEMBL3235751 0.88 HSD17B10 (0.55) KDM4EHSD17B10PTGDR2HRH1HTR6
SCHEMBL3233115 0.86 HSD17B10 (0.50) HSD17B10PTGDR2HRH1HTR6ADRA2A
SCHEMBL3229884 0.86 HSD17B10 (0.50) KDM4EMAPK1L3MBTL1HSD17B10PTGDR2
SCHEMBL3720789 0.84 HTR6 (0.60) HSD17B10PTGDR2HRH1HTR6ADRA2A
SCHEMBL16622112 0.84 HRH1 (0.58) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL3720485 0.82 HTR6 (0.60) HSD17B10PTGDR2HRH1HTR6ADRA2A

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
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 KDM4E 710/4885MAPK1 4157/4885TDP1 3066/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885MAPK1 4157/4885TDP1 3066/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885MAPK1 4157/4885TDP1 3066/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885MAPK1 4157/4885TDP1 3066/4885

“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.