SCHEMBL14917430

SCHEMBL14917430

CC(C)(C)OC(=O)N(C(=O)Cc1ccc(N)cc1)[C@H](C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
PDE4A P27815 1/20 0.38
CCR5 P51681 4/20 0.37
CACNA1B Q00975 4/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ANPEP P15144 2/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL14911148 0.90 OPRK1 (0.44) OPRK1CCR5CACNA1BTP53CYP2D6
SCHEMBL14911161 0.88 OPRK1 (0.42) OPRK1CACNA1BTP53CYP2D6CYP1A2
SCHEMBL1493572 0.86 CACNA1B (0.38) OPRK1PDE4ACACNA1BTP53CYP2D6
SCHEMBL1493571 0.86 CACNA1B (0.38) OPRK1PDE4ACACNA1BTP53CYP2D6
SCHEMBL14911147 0.82 OPRK1 (0.47) OPRK1CCR5CACNA1BCYP2D6CYP1A2
SCHEMBL22641456 0.79 HSD11B1 (0.38) PDE4ACACNA1BLMNACHRM2CHRM1
SCHEMBL2546331 0.79 HSD11B1 (0.38) PDE4ACACNA1BLMNACHRM2CHRM1
SCHEMBL12660590 0.78 PDE4A (0.42) OPRK1PDE4ATP53CYP2D6CYP1A2
SCHEMBL1491639 0.77 CACNA1B (0.39) OPRK1CACNA1BTP53
SCHEMBL1491637 0.77 CACNA1B (0.39) OPRK1CACNA1BTP53

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-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 OPRK1 4395/4885PDE4A 3300/4885CCR5 4788/4885

“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.