SCHEMBL14731981

SCHEMBL14731981

COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
BCHE P06276 4/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH1 P35367 10/20 0.43
HTR6 P50406 10/20 0.43
BAZ2B Q9UIF8 1/20 0.40
ADRA2A P08913 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL2187729 0.89 HDAC1 (0.49) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL14728963 0.88 GRIN2D (0.51) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL18399396 0.86 HDAC1 (0.49) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL14963898 0.85 HTR6 (0.57) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL3239600 0.83 HDAC1 (0.44) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL2187740 0.83 HDAC6 (0.49) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL3229855 0.82 HDAC1 (0.42) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL13654623 0.82 HDAC1 (0.43) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL13654633 0.82 HDAC1 (0.41) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL12479782 0.80 GRIN1 (0.62) HDAC1HDAC6GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 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 (1 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC1 1375/4885HDAC6 2844/4885GRIN2D 1104/4885

“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.