SCHEMBL5166127

SCHEMBL5166127

CCC1CC(=O)CCN1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.33
ACE P12821 4/20 0.32
LTA4H P09960 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7754112 0.80 PRCP (0.30) KMT2A
SCHEMBL24940616 0.76 CYP2C9 (0.44) ALDH1A1
SCHEMBL1582318 0.76 OPRK1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL14155712 0.73 SIGMAR1 (0.42) KMT2AALDH1A1
SCHEMBL17788020 0.72 OPRK1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL499847 0.72 MEN1 (0.44) ACELTA4HMEN1KMT2AALDH1A1
SCHEMBL12028781 0.71 PTPN2 (0.36)
SCHEMBL717017 0.70 MEN1 (0.49) LTA4HMEN1KMT2AALDH1A1
SCHEMBL24991352 0.70 SLC6A9 (0.36) SLC6A9
SCHEMBL24829568 0.70 SLC6A9 (0.36) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100402084-C Method for detection or quantitative determination of metabolite of fentanyl or metabolite of fentanyl analogues and kit LANDAUKES LAB CO LTD (GB) 2008-07-16 CN disclosed
EP-1312923-B1 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs RANDOX LAB LTD (GB) 2007-03-28 EP disclosed
US-7109310-B2 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs RANDOX LABORATORIES, LTD. (IE) 2006-09-19 US disclosed
US-20030170728-A1 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs RANDOX LABORATORIES LIMITED 2003-09-11 US disclosed
EP-1312923-A2 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs Randox Laboratories Ltd. (GB) 2003-05-21 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-20030170728-A1 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs OPRK1, KIT, OPRM1 SLC6A9 4258/4885ACE 1485/4885LTA4H 2056/4885

“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.