SCHEMBL16638435

SCHEMBL16638435

CCCN1CCc2c(c3cc(C)ccc3n2CC(O)c2ccncc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.58
GRIN2A Q12879 3/20 0.58
GRIN2B Q13224 3/20 0.58
GRIN2D O15399 2/20 0.58
GRIN3B O60391 2/20 0.58
GRIN2C Q14957 2/20 0.58
GRIN3A Q8TCU5 2/20 0.58
HRH1 P35367 10/20 0.54
HTR6 P50406 9/20 0.54
BCHE P06276 4/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRA2A P08913 3/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR7 P34969 3/20 0.45
ADRA1A P35348 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL12480981 0.92 GRIN1 (0.56) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12480244 0.90 GRIN2D (0.54) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL16638437 0.90 GRIN2D (0.47) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12481001 0.90 GRIN2D (0.56) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL168755 0.89 HRH1 (0.69) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL16638427 0.89 GRIN1 (0.57) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL13739723 0.88 GRIN2D (0.54) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12480694 0.88 GRIN2D (0.52) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12480304 0.87 GRIN2D (0.53) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12480016 0.87 GRIN2D (0.53) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B

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 GRIN1 1388/4885GRIN2A 739/4885GRIN2B 242/4885

“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.