SCHEMBL5633223

SCHEMBL5633223

CCCCN1C(=O)C(=C(N)N)C(=O)N(CCCNC(=O)OCc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
MGLL Q99685 2/20 0.47
AGTR1 P30556 1/20 0.41
TGM2 P21980 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 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
SCHEMBL5632894 0.87 CYP1A2 (0.40) TGM2ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL5633577 0.87 HTT (0.49) DPP8TGM2MAPTSMN1; SMN2LMNA
SCHEMBL13647947 0.81 MGLL (0.67) DPP8DPP9MGLLTGM2ALDH1A1
SCHEMBL10500161 0.74 DPP8 (0.58) DPP8DPP9MGLLTGM2ALDH1A1
SCHEMBL6418689 0.73 DPP8 (0.58) DPP8DPP9MGLLTGM2ALDH1A1
SCHEMBL6624294 0.72 DPP8 (0.57) DPP8DPP9MGLLTGM2ALDH1A1
SCHEMBL10825541 0.72 DPP8 (0.57) DPP8DPP9MGLLTGM2ALDH1A1
SCHEMBL11391394 0.72 DPP8 (0.57) DPP8DPP9MGLLTGM2ALDH1A1
SCHEMBL6397257 0.72 DPP8 (0.57) DPP8DPP9MGLLTGM2ALDH1A1
SCHEMBL4972414 0.72 ALDH1A1 (0.53) DPP8DPP9TGM2ALDH1A1MAPT

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-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 US claimed
US-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 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-20070123548-A1 Pth agonists PTH1R, SSTR3, CALCR DPP8 2239/4885DPP9 3806/4885MGLL 4436/4885

“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.