SCHEMBL5843322

SCHEMBL5843322

CN(C(=O)Cc1cccc(CNC(=O)OC(C)(C)C)c1)[C@H](CN1CCCC1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.77
CYP2D6 P10635 8/20 0.77
OPRD1 P41143 6/20 0.69
OPRM1 P35372 4/20 0.69
CYP3A4 P08684 2/20 0.65
TSHR P16473 2/20 0.65
CYP2C19 P33261 2/20 0.65
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
UTS2R Q9UKP6 1/20 0.59

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
SCHEMBL5843412 0.87 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL5843415 0.87 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL5842937 0.86 OPRK1 (0.75) OPRK1CYP2D6OPRD1OPRM1CYP3A4
Hydrochloric Acid SCHEMBL5844901 0.81 OPRK1 (0.98) OPRK1CYP2D6OPRD1OPRM1CYP3A4
Hydrochloric Acid SCHEMBL5844895 0.81 OPRK1 (0.98) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL8061918 0.80 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL17570381 0.80 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
SCHEMBL8061920 0.80 OPRK1 (1.00) OPRK1CYP2D6OPRD1OPRM1CYP3A4
Hydrochloric Acid SCHEMBL5844984 0.80 OPRK1 (0.98) OPRK1CYP2D6OPRD1OPRM1CYP3A4
Hydrochloric Acid SCHEMBL5844981 0.80 OPRK1 (0.98) 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.