SCHEMBL6804849

SCHEMBL6804849

CC(C)C(N)C(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.39
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
Hydrochloric Acid SCHEMBL6806816 0.98 ELANE (0.39) ELANEDPP4DPP8DPP7CTSL
Hydrochloric Acid SCHEMBL7129582 0.98 ELANE (0.39) ELANEDPP4DPP8DPP7CTSL
SCHEMBL21067660 0.86 ELANE (0.38) ELANEDPP4DPP8DPP7CTSK
SCHEMBL21067661 0.86 ELANE (0.38) ELANEDPP4DPP8DPP7CTSK
Hydrochloric Acid SCHEMBL5728714 0.85 ELANE (0.38) ELANEDPP4DPP8DPP7CTSK
SCHEMBL7074829 0.80 ELANE (0.49) ELANE
Hydrochloric Acid SCHEMBL7075284 0.79 ELANE (0.48) ELANE
SCHEMBL13300000 0.75 ELANE (0.50) ELANE
Hydrochloric Acid SCHEMBL7124106 0.75 CTSK (0.42) ELANECTSLCTSBCTSSCTSK
SCHEMBL2678471 0.74 DPP4 (0.36) ELANEDPP4DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US claimed
US-6534658-B1 Intermediates for producing pharmaceuticals ONO PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US claimed
EP-1162199-A1 1,3,4-OXADIAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP claimed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS ELANE 4400/4885DPP4 1341/4885DPP8 2109/4885
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same OXA1L, CYP1B1, OXER1 ELANE 4189/4885DPP4 1690/4885DPP8 4249/4885

“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.