SCHEMBL3361994

SCHEMBL3361994

CCOC12CC3CC(CC(N)(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.53
GRIN2A Q12879 7/20 0.53
GRIN2D O15399 6/20 0.53
GRIN3B O60391 6/20 0.53
GRIN2B Q13224 6/20 0.53
GRIN2C Q14957 6/20 0.53
GRIN3A Q8TCU5 6/20 0.53
PKM P14618 1/20 0.42
POLB P06746 2/20 0.40
LMNA P02545 4/20 0.39
SLC22A1 O15245 2/20 0.39
NFKB1 P19838 2/20 0.39
SLC22A2 O15244 1/20 0.39
TSHR P16473 1/20 0.39
STAT6 P42226 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PMP22 Q01453 2/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL6904418 0.86 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL31732784 0.82 GRIN2D (0.47) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL31732782 0.80 GRIN2D (0.45) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL14149404 0.78 GRIN2D (0.33) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10414911 0.78 TSHR (0.35) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1397855 0.78 GRIN2D (0.34) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3360868 0.78 GRIN1 (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5917754 0.77 PKM (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10414910 0.77 GRIN2D (0.32) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL270387 0.77 NPSR1 (0.43) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2662727-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-13 EP disclosed
US-8569250-B2 Organic compounds NOVARTIS AG (CH) 2013-10-29 US disclosed
EP-2247602-B1 ADAMANTYL O-GLUCURONIDE DERIVATIVES AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES NOVARTIS AG (CH) 2013-04-03 EP disclosed
US-20120295860-A1 ORGANIC COMPOUNDS HASSIEPEN ULRICH (DE) 2012-11-22 US disclosed
US-8252751-B2 Organic compounds NOVARTIS AG (CH) 2012-08-28 US disclosed
EP-2247602-A2 ADAMANTYL O-GLUCURONIDE DERIVATIVES AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES Novartis AG (CH) 2010-11-10 EP disclosed
US-20100256080-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-07 US disclosed
WO-2009068531-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-04 WO disclosed
EP-1137635-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2005-10-19 EP disclosed
EP-1137635-A1 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 2001-10-04 EP disclosed
US-6166063-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-12-26 US disclosed
WO-2000034241-A1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2000-06-15 WO 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-20100256080-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 GRIN1 2880/4885GRIN2A 3441/4885GRIN2D 3421/4885
US-20120295860-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 GRIN1 2860/4885GRIN2A 3430/4885GRIN2D 3406/4885

“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.