SCHEMBL14023219

SCHEMBL14023219

CCCCCCCCCCC(C)C(=O)c1nnn(C)c1I

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
ACE2 Q9BYF1 1/20 0.36
FFAR1 O14842 2/20 0.33
FAAH O00519 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FDPS P14324 3/20 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
SCHEMBL14023216 0.72 GPR84 (0.32) GPR84
SCHEMBL28032777 0.64 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL15338395 0.64 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL18631730 0.64 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL3231557 0.63 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL4350645 0.63 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL3218364 0.63 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL3211014 0.63 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL1321582 0.63 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL2710871 0.63 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84

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-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 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-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds VCAM1, ICAM1, EPCAM CA1 3533/4885ACE2 2047/4885FFAR1 618/4885

“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.