SCHEMBL6184942

SCHEMBL6184942

CC(C)(C)ON(C=O)C(CO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
OPRK1 P41145 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
GAA P10253 1/20 0.33
GSR P00390 1/20 0.33
TRPA1 O75762 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL28412066 0.82 RIPK1 (0.34) NR1H2NR1H3RIPK1ALDH1A1LMNA
SCHEMBL7343190 0.82 KCNA5 (0.45) NR1H2NR1H3ALDH1A1MAPTKMT2A
SCHEMBL6400372 0.77 OPRK1 (0.40) OPRK1ALDH1A1KMT2ACTSSCTSK
SCHEMBL4729192 0.77 OPRK1 (0.40) OPRK1ALDH1A1KMT2ACTSSCTSK
SCHEMBL9317468 0.76 AOC3 (0.36) RIPK1ALDH1A1KMT2AGAA
SCHEMBL4730804 0.74 SMN1; SMN2 (0.37) ALDH1A1KMT2ACTSSCTSK
SCHEMBL8924568 0.74 MME (0.44)
SCHEMBL6607293 0.73 TP53 (0.39) ALDH1A1MAPTMMP2MMP9GAA
SCHEMBL6401312 0.72 CA1 (0.40) CTSS
SCHEMBL8936895 0.72 TACR1 (0.59)

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-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 EP 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 NR1H2 3917/4885NR1H3 4287/4885OPRK1 2299/4885

“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.