SCHEMBL5598459

SCHEMBL5598459

[NH]C12CC3CC(C1)C(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
LMNA P02545 2/20 0.38
SLC22A2 O15244 2/20 0.38
SLC47A1 Q96FL8 2/20 0.38
SLC22A1 O15245 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT6 P42226 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL480287 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20245083 0.69 GRIN1 (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15314277 0.63 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12968026 0.62 HSD11B1 (0.40)
SCHEMBL10234486 0.62 HSD11B1 (0.40)
SCHEMBL991748 0.61 PKM (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18500796 0.60 LMNA (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL870113 0.57 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13558671 0.57 GRIN1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11774669 0.57 GRIN2D (0.46) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
EP-1807070-A1 COMBINATIONS OF SUBSTITUTED AZETIDINONES AND CB1 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-18 EP disclosed
US-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US 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
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP disclosed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US disclosed
US-6794390-B2 TREATING CELL PROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS, LUPUS, TYPE I DIABETES, MULTIPLE SCLEROSIS, CANCER, RESTENOSIS, HOST GRAFT DISEASE, GOUT, AND POLYCYSTIC KIDNEY DISEASE. CV THERAPEUTICS, INC. 2004-09-21 US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 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 (2 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 GRIN2D 3157/4885GRIN3B 2368/4885GRIN1 3042/4885
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.