SCHEMBL3236344

SCHEMBL3236344

CN1CCc2[nH]c3ccc(Cl)cc3c2CC1.CN1CCc2c(n(CCc3ccccc3Cl)c3ccc(Cl)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.41
HTR6 P50406 4/20 0.41
DRD2 P14416 3/20 0.41
ADRA2A P08913 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
BAZ2B Q9UIF8 3/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3229650 0.89 HTR6 (0.48) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL3242362 0.87 HTR6 (0.49) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL15123818 0.81 HRH1 (0.59) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL3236438 0.80 HRH1 (0.61) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL3243189 0.80 HTR6 (0.51) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL3231659 0.78 BAZ2B (0.60) HTR6DRD2ADRA1ABAZ2BDRD1
SCHEMBL3238088 0.77 HTR6 (0.65) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL3240057 0.75 HTR6 (0.60) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL13696044 0.74 HRH1 (0.72) HRH1HTR6DRD2ADRA2AHTR2A
SCHEMBL3237977 0.73 HTR6 (0.68) HRH1HTR6DRD2ADRA2AHTR2A

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 7 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-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-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-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 HRH1 32/4885HTR6 14/4885DRD2 124/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HRH1 32/4885HTR6 14/4885DRD2 124/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HRH1 32/4885HTR6 14/4885DRD2 124/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HRH1 32/4885HTR6 14/4885DRD2 124/4885

“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.