SCHEMBL13306239

SCHEMBL13306239

COc1ccc(-n2c3c(c4cc(Cl)ccc42)CCN(C)CC3)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
HTR5A P47898 1/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
BAZ2B Q9UIF8 1/20 0.36
LCK P06239 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
MAP4K1 Q92918 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL13242301 0.93 HTR6 (0.43) HTR6HTR5AHTR2AHTR2CBAZ2B
SCHEMBL13665774 0.93 MCHR1 (0.39) HTR6HTR5ADRD2DRD1DRD5
SCHEMBL13306240 0.88 HTR6 (0.41) HTR6DRD2DRD1DRD5DRD3
SCHEMBL13306557 0.83 HTR5A (0.47) HTR6HTR5A
SCHEMBL13306236 0.83 BAZ2B (0.44) HTR5ABAZ2BHDAC1HDAC6
SCHEMBL13654686 0.81 HTR2A (0.36) HTR6HTR5ADRD2HTR2AHTR2C
SCHEMBL13654586 0.81 MCHR1 (0.43) HTR6HTR5ABAZ2BHDAC1HDAC6
SCHEMBL13242305 0.81 HTR6 (0.50) HTR6HTR5ADRD2DRD3HTR2A
SCHEMBL13665762 0.81 HTR6 (0.43) HTR6HTR5ADRD2DRD1DRD5
SCHEMBL3231422 0.80 HTR6 (0.55) HTR6HTR5ADRD2DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES 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 (2 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-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 HTR6 14/4885HTR5A 2/4885DRD2 124/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C HTR6 85/4885HTR5A 23/4885DRD2 98/4885

“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.