SCHEMBL2869935

SCHEMBL2869935

NC12CC3CC(C1)CC(CC(=O)N1CCC(F)(F)C1)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
BPTF Q12830 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HSD11B1 P28845 2/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2877462 0.75 POLB (0.55) POLBBPTFGRIN2DGRIN3BGRIN1
SCHEMBL5809837 0.71 POLB (1.00) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2869938 0.69 DPP4 (0.36) BPTFGRIN2BHSD11B1HTTDPP4
SCHEMBL14305080 0.67 DPP4 (0.45) GRIN1GRIN2BHSD11B1LMNADPP4
SCHEMBL19909607 0.65 BPTF (0.71) BPTFHSD11B1TSHRGAALMNA
SCHEMBL1347525 0.64 DPP4 (0.41) POLBGRIN2BHSD11B1LMNAHTT
SCHEMBL16215801 0.64 DPP4 (0.41) GRIN1GRIN2BHSD11B1LMNADPP4
SCHEMBL10305031 0.64 OPRM1 (0.50) GRIN1GRIN2BLMNADPP4DPP7
SCHEMBL6058620 0.63 GRIN2D (0.64) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31756909 0.63 GRIN2D (0.64) POLBGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794120-B1 PEPTIDASE INHIBITORS NUADA LLC (US) 2012-04-11 EP disclosed
US-7842707-B2 Peptidase inhibitors NUADA, LLC (US) 2010-11-30 US disclosed
US-20080234292-A1 Such as S)-(1-(1-Aminobicyclo[2.2.2]oct-4-yl)aminoacetyl)-2-cyanopyrrolidine; inhibitors of the enzyme dipeptidyl peptidase; antidiabetic agents NUADA, LLC 2008-09-25 US disclosed
EP-1794120-A2 PEPTIDASE INHIBITORS Royalty, Susan Marie (US) 2007-06-13 EP disclosed
WO-2006012395-A2 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 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 (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-20080234292-A1 Such as S)-(1-(1-Aminobicyclo[2.2.2]oct-4-yl)aminoacetyl)-2-cyanopyrrolidine; inhibitors of the enzyme dipeptidyl peptidase; antidiabetic agents DPP3, DPP4, DPP7 POLB 2452/4885BPTF 3001/4885GRIN2D 1762/4885

“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.