SCHEMBL3326817

SCHEMBL3326817

CCCCCCCCCCCCCCCCC(N)C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
LAP3 P28838 2/20 0.47
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
SPHK1 Q9NYA1 2/20 0.45
TP53 P04637 1/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR2 O95136 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR4 O95977 4/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL27553388 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL5148018 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL11741495 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL25295574 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL3322430 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL25260863 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL3325909 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL13494822 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL8604975 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A
SCHEMBL11748239 1.00 OPRM1 (0.48) OPRM1LAP3ADH1BADH1CADH1A

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-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 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-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 OPRM1 4/4885LAP3 832/4885ADH1B 3593/4885

“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.