SCHEMBL14497053

SCHEMBL14497053

CC(C)(C)OC(=O)N[C@@H](CN=[N+]=[N-])C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CTSK P43235 11/20 0.40
▸ CTSS P25774 9/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CTSL P07711 3/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19326572 0.93 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL17080907 0.93 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL31240095 0.93 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL15156428 0.88 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL15157513 0.88 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL13483252 0.88 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL15295107 0.85 CTSK (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL15083553 0.85 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL25658173 0.83 CA1 (0.42) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL16288233 0.82 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HTTCTSK

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-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S CYP1A2 3302/4885CYP2C9 1806/4885CYP2C19 1876/4885

“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.

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