SCHEMBL6073669

SCHEMBL6073669

CC(C)(CC(O)C[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
APLNR P35414 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 3/20 0.31
AAK1 Q2M2I8 5/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL6810528 0.82 MEN1 (0.32) CYP2D6CA1CA2CA7MEN1
SCHEMBL27575123 0.81 CPA1 (0.36)
SCHEMBL29778241 0.78 APLNR (0.36) CYP2D6CA1CA2CA7MEN1
SCHEMBL7643226 0.78 MEN1 (0.41) CYP2D6CA1CA2CA7MEN1
SCHEMBL23006817 0.75 CA1 (0.43) CYP2D6CA1CA2CA7MEN1
SCHEMBL6245269 0.75 CA1 (0.42) CYP2D6CA1CA2CA7CTSK
SCHEMBL15779329 0.74 CTSK (0.40) CYP2D6CA1CA2CA7GAA
SCHEMBL13827740 0.73 CA1 (0.44) CYP2D6CA1CA2CA7MEN1
SCHEMBL8893850 0.72 CTSK (0.42) CYP2D6CA1CA2CA7CTSK
SCHEMBL6814282 0.72 PPARA (0.44) CTSKPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 CYP2D6 2736/4885CA1 3597/4885CA2 1332/4885

“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.