SCHEMBL22493333

SCHEMBL22493333

CC1OCC(c2nccn2C)COC1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
F10 P00742 1/20 0.32
NISCH Q9Y2I1 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
SCHEMBL21130776 0.77 LPO (0.34) LPOALDH1A1HPGDHSD17B10
SCHEMBL3532209 0.77
SCHEMBL27217132 0.74 LPO (0.38) LPOALDH1A1HPGDHSD17B10F10
SCHEMBL27217134 0.74 LPO (0.38) LPOALDH1A1HPGDHSD17B10F10
SCHEMBL15431994 0.74 F10 (0.40) LPOALDH1A1HPGDHSD17B10F10
Hydrochloric Acid SCHEMBL25406317 0.73 LPO (0.40) LPOALDH1A1HPGDHSD17B10
SCHEMBL27217166 0.73 CCNE1 (0.41) LPOALDH1A1F10
SCHEMBL30660177 0.73 LPO (0.40) LPOALDH1A1HPGDHSD17B10F10
SCHEMBL14960627 0.73 ALDH1A1 (0.41) LPOALDH1A1HPGDHSD17B10F10
SCHEMBL7457735 0.72 LPO (0.39) LPOALDH1A1HPGDHSD17B10

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-20200308139-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2020-10-01 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-20200308139-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 LPO 312/4885ALDH1A1 411/4885HPGD 126/4885

“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.