SCHEMBL5842937

SCHEMBL5842937

CN(C(=O)Cc1ccccc1CNC(=O)OC(C)(C)C)[C@H](CN1CCCC1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.75
CYP2D6 P10635 8/20 0.75
OPRD1 P41143 5/20 0.75
OPRM1 P35372 3/20 0.75
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL5843322 0.86 OPRK1 (0.77) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL5844315 0.86 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL5844312 0.86 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL5843674 0.81 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL5843678 0.81 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
Hydrochloric Acid SCHEMBL5842170 0.79 OPRK1 (0.98) OPRK1CYP2D6OPRD1OPRM1CYP3A4
Hydrochloric Acid SCHEMBL5842166 0.79 OPRK1 (0.98) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL6478413 0.78 OPRK1 (0.77) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL6347072 0.78 OPRK1 (0.72) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL17870633 0.78 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4

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-6992193-B2 Sulfonylamino phenylacetamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-01-31 US disclosed
US-20040254156-A1 Sulfonylamino phenylacetamide derivatives and methods of their use CALIXA THERAPEUTICS, INC. 2004-12-16 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-20040254156-A1 Sulfonylamino phenylacetamide derivatives and methods of their use CYP2E1, CYP2D6, CYP3A43 OPRK1 14/4885CYP2D6 2/4885OPRD1 17/4885

“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.