SCHEMBL8260736

SCHEMBL8260736

CN1CCc2[nH]c3ccccc3c2CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.79
CHRNA7 P36544 1/20 0.79
DRD2 P14416 8/20 0.75
DRD1 P21728 8/20 0.75
DRD5 P21918 8/20 0.75
DRD3 P35462 6/20 0.75
DRD4 P21917 5/20 0.75
MEN1 O00255 1/20 0.75
GMNN O75496 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
CYP2C9 P11712 1/20 0.75
ADRA1D P25100 1/20 0.75
CYP2C19 P33261 1/20 0.75
ADRA1A P35348 1/20 0.75
ADRA1B P35368 1/20 0.75
MTOR P42345 1/20 0.75
BLM P54132 1/20 0.75
PMP22 Q01453 1/20 0.75

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
SCHEMBL11820101 0.91 DRD2 (0.71) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL11819270 0.89 DRD2 (0.69) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL30324538 0.88 CHRNA7 (1.00) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL168248 0.88 CHRNA7 (1.00) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL1055807 0.88 KDM4E (1.00) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL29471003 0.86 DRD5 (1.00) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL12610513 0.86 DRD5 (1.00) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL30522313 0.86 DRD5 (1.00) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL13203882 0.85 KDM4E (0.62) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL25774111 0.83 HTR1A (0.66) KDM4ECHRNA7DRD2DRD1DRD5

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 8 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-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-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
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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 (3 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 710/4885CHRNA7 90/4885DRD2 124/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885CHRNA7 90/4885DRD2 124/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885CHRNA7 90/4885DRD2 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.