SCHEMBL22962159

SCHEMBL22962159

CC(C)(C)OC(=O)NC1(C(=O)OC2CC2)CCN(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 5/20 0.48
NPFFR2 Q9Y5X5 5/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 5/20 0.46
CYP2D6 P10635 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 2/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13738114 0.92 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL29862994 0.92 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL22961965 0.89 CYP2D6 (0.50) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL23120819 0.87 NPFFR1 (0.53) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL22961966 0.87 NPFFR1 (0.53) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL34473862 0.87 NPFFR1 (0.48) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL7578999 0.85 NPFFR1 (0.55) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL22962212 0.84 NPFFR1 (0.46) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL22961972 0.84 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL8606869 0.82 NPFFR1 (0.57) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 US disclosed
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 WO 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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 NPFFR1 46/4885NPFFR2 50/4885KMT2A 1829/4885

“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.