SCHEMBL21452007

SCHEMBL21452007

CCCCCCC(C)C(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
GPR84 Q9NQS5 8/20 0.46
FAAH O00519 2/20 0.44
CA2 P00918 1/20 0.43
CCR2 P41597 1/20 0.42
FDPS P14324 1/20 0.41

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
SCHEMBL4697030 0.98 CA1 (0.52) CA1FFAR1FFAR4ACE2GPR84
SCHEMBL12295119 0.92 CA1 (0.46) CA1CA2FDPS
SCHEMBL20987770 0.85 CA2 (0.50) CA1FFAR1FFAR4GPR84CA2
SCHEMBL21250716 0.85 CA2 (0.50) CA1FFAR1FFAR4GPR84CA2
SCHEMBL13963511 0.84 ACE2 (0.46) CA1FFAR1FFAR4ACE2GPR84
SCHEMBL23082924 0.83 CA2 (0.53) CA1FFAR1GPR84CA2
SCHEMBL8233988 0.83 GPR84 (0.57) FFAR1FFAR4GPR84CA2
SCHEMBL8240572 0.83 GPR84 (0.57) FFAR1FFAR4GPR84CA2
SCHEMBL9849654 0.82 CA1 (0.47) CA1FFAR1FFAR4ACE2GPR84
SCHEMBL21498730 0.81 CA2 (0.56) CA1FFAR1GPR84CA2

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-20190308988-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 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-20190308988-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 CA1 2910/4885FFAR1 80/4885FFAR4 102/4885

“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.