SCHEMBL5598596

SCHEMBL5598596

CCC1C2CC3CC(C2)CC1([NH])C3

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.32
GRIN3B O60391 4/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
GRIN2B Q13224 4/20 0.32
GRIN2C Q14957 4/20 0.32
GRIN3A Q8TCU5 4/20 0.32

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
SCHEMBL7263732 0.76 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL892215 0.75 GRIN2D (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1071740 0.74 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6291331 0.74 NPSR1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL677091 0.74 HSD11B1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3873892 0.69
SCHEMBL3179851 0.68 KMT2A (0.35)
SCHEMBL23631362 0.67 ALDH1A1 (0.38)
SCHEMBL6830167 0.67
SCHEMBL2220414 0.66 THRB (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807070-A1 COMBINATIONS OF SUBSTITUTED AZETIDINONES AND CB1 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-18 EP disclosed
WO-2006039334-A1 COMBINATIONS OF SUBSTITUTED AZETIDONONES AND CB1 ANTAGONISTS SCHERING CORPORATION (US) 2006-04-13 WO disclosed
US-20060069080-A1 Combinations of substituted azetidinones and CB1 antagonists SCHERING CORPORATION 2006-03-30 US disclosed
US-5624941-A Pyrazole derivatives, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1997-04-29 US disclosed
EP-0576357-B1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-03-05 EP disclosed
EP-0576357-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP 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-20060069080-A1 Combinations of substituted azetidinones and CB1 antagonists CNR1, CNR2, GPR119 GRIN2D 1572/4885GRIN3B 990/4885GRIN1 926/4885

“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.