SCHEMBL16638442

SCHEMBL16638442

CCCN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2cccnc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
HRH1 P35367 5/20 0.44
HTR6 P50406 4/20 0.44
BCHE P06276 4/20 0.43
BAZ2B Q9UIF8 4/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL13834248 0.92 HRH1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16638427 0.91 GRIN1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2186574 0.90 HRH1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16638437 0.89 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12480412 0.88 HDAC1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3231330 0.87 HRH1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1444926 0.84 HRH1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13833882 0.84 HRH1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16638438 0.83 LMNA (0.45) BCHEMEN1KMT2A
SCHEMBL13834264 0.81 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 GRIN2D 1104/4885GRIN3B 447/4885GRIN1 1388/4885

“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.