SCHEMBL13028840

SCHEMBL13028840

CC12CC3CC(C)(C1)CC(NC(C)(C)C)(C3)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.63
GRIN2A Q12879 5/20 0.63
GRIN2D O15399 4/20 0.63
GRIN3B O60391 4/20 0.63
GRIN2B Q13224 4/20 0.63
GRIN2C Q14957 4/20 0.63
GRIN3A Q8TCU5 4/20 0.63
EPHX2 P34913 7/20 0.49
LMNA P02545 2/20 0.45
SLC22A1 O15245 1/20 0.45
ESR1 P03372 1/20 0.45
ADRB3 P13945 1/20 0.45
ACHE P22303 1/20 0.45
OPRK1 P41145 1/20 0.45
MTOR P42345 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 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
SCHEMBL29297623 0.81 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8061377 0.79 GRIN1 (0.71) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1072142 0.79 GRIN1 (0.71) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL292343 0.77 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18426917 0.76 GRIN2D (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL31202654 0.76 GRIN1 (0.95) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL11656535 0.76 GRIN1 (0.95) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2480001 0.76 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5270620 0.76 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL812216 0.75 GRIN1 (0.68) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 GRIN1 923/4885GRIN2A 1422/4885GRIN2D 2128/4885

“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.