SCHEMBL3527474

SCHEMBL3527474

CC(C)(C)N(C(=O)O)C1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.45
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
ACHE P22303 3/20 0.43
OPRM1 P35372 1/20 0.43
BRD4 O60885 1/20 0.43
FUCA1 P04066 2/20 0.43
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3617880 0.86 S1PR5 (0.47) GRIN2BS1PR1S1PR5ACHEOPRM1
SCHEMBL2692748 0.86 S1PR5 (0.47) GRIN2BS1PR1S1PR5ACHEOPRM1
SCHEMBL2692741 0.86 S1PR5 (0.47) GRIN2BS1PR1S1PR5ACHEOPRM1
SCHEMBL2692744 0.86 S1PR5 (0.47) GRIN2BS1PR1S1PR5ACHEOPRM1
SCHEMBL66496 0.85 BRD4 (0.43) GRIN2BS1PR1S1PR5ACHEOPRM1
SCHEMBL5652849 0.85 BRD4 (0.43) GRIN2BS1PR1S1PR5ACHEOPRM1
SCHEMBL7242578 0.85 FUCA1 (0.50) GRIN2BS1PR1S1PR5ACHEOPRM1
SCHEMBL4132636 0.80 KCNH2 (0.43) GRIN2BS1PR1S1PR5ACHEFUCA1
SCHEMBL7248714 0.80 FUCA1 (0.46) GRIN2BS1PR1S1PR5ACHEFUCA1
SCHEMBL1307812 0.79 OPRM1 (0.55) ACHEOPRM1BCHEKDM4E

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-7652021-B2 (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 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-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition DPP4, DPP7, DPP9 GRIN2B 1852/4885S1PR1 4476/4885S1PR5 3970/4885

“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.