SCHEMBL14072895

SCHEMBL14072895

CC(C)[C@H]1CC1C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DPP4 P27487 3/20 0.33
▸ DPP9 Q86TI2 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GLI1 P08151 1/20 0.31
▸ TRPA1 O75762 2/20 0.30
▸ TRPM8 Q7Z2W7 2/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ GRM8 O00222 1/20 0.30
▸ GRM6 O15303 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ APEX1 P27695 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
SCHEMBL14072936 1.00 CYP3A4 (0.38) CYP3A4TSHREPHX1GAAL3MBTL1
SCHEMBL21727250 1.00 CYP3A4 (0.38) CYP3A4TSHREPHX1GAAL3MBTL1
SCHEMBL14072908 0.84 EPHX1 (0.48) CYP3A4TSHREPHX1DPP4DPP9
SCHEMBL14072888 0.84 EPHX1 (0.48) CYP3A4TSHREPHX1DPP4DPP9
SCHEMBL6871372 0.81 EPHX1 (0.64) EPHX1ALDH1A1TRPA1TRPM8
SCHEMBL19015226 0.79 EPHX1 (0.33) EPHX1
SCHEMBL14072940 0.77 CTSB (0.40) EPHX1DPP4DPP9CTSBCTSS
SCHEMBL14072939 0.77 CTSB (0.40) EPHX1DPP4DPP9CTSBCTSS
SCHEMBL11826262 0.75 ALDH1A1 (0.42) TSHRDPP4DPP9CTSBCTSS
SCHEMBL11826258 0.75 ALDH1A1 (0.42) TSHRDPP4DPP9CTSBCTSS

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-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 — — US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 — — US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 — — US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 — — 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 (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-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 CYP3A4 730/4885TSHR 4564/4885EPHX1 1476/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 CYP3A4 749/4885TSHR 4543/4885EPHX1 1494/4885

“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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