SCHEMBL29317712

SCHEMBL29317712

CC(C)(C)C(=O)N1CCC2(CC1)CN(C(C)(C)C)CCO2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.50
MGLL Q99685 8/20 0.38
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 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
SCHEMBL29321296 0.82 MGLL (0.41) EPHX2MGLLALDH1A1
SCHEMBL20469333 0.82 EPHX2 (0.52) EPHX2MGLLCYP3A4
SCHEMBL22021873 0.80 GRIN2D (0.35) EPHX2MGLL
SCHEMBL23083347 0.80
SCHEMBL20469335 0.79 EPHX2 (0.52) EPHX2MGLL
SCHEMBL29317645 0.78 GRIN2D (0.36)
SCHEMBL27009205 0.78 EPHX2 (0.45) EPHX2MGLLCYP3A4ALDH1A1HTT
SCHEMBL17281958 0.77
SCHEMBL21140961 0.77 KCNH2 (0.32)
SCHEMBL13093540 0.77 KCNH2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 EPHX2 949/4885MGLL 536/4885CYP3A4 75/4885

“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.