SCHEMBL17873644

SCHEMBL17873644

CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 1.00
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL17873646 1.00 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL19753585 0.89 OPRK1 (0.80) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL5629451 0.88 OPRK1 (0.79) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL5631745 0.86 OPRK1 (0.76) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6478689 0.86 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6478692 0.86 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17873667 0.85 OPRK1 (1.00) OPRK1CYP2D6
SCHEMBL17873664 0.85 OPRK1 (1.00) OPRK1CYP2D6
SCHEMBL5629426 0.85 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL9510585 0.85 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241415-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the κ opioid receptor NEKTAR THERAPEUTICS (US) 2022-02-08 US disclosed
US-11241415-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the κ opioid receptor NEKTAR THERAPEUTICS (US) 2022-02-08 US disclosed
US-20190269652-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS 2019-09-05 US disclosed
US-20190269652-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS 2019-09-05 US disclosed
EP-3237388-B1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS (US) 2019-07-03 EP disclosed
US-10322107-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the kappa opioid receptor NEKTAR THERAPEUTICS (US) 2019-06-18 US disclosed
US-10322107-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the kappa opioid receptor NEKTAR THERAPEUTICS (US) 2019-06-18 US disclosed
US-20170368029-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS 2017-12-28 US disclosed
EP-3237388-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR Nektar Therapeutics (US) 2017-11-01 EP disclosed
WO-2016106133-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS (US) 2016-06-30 WO disclosed
WO-2016106133-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS (US) 2016-06-30 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 (4 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-20170368029-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR OPRK1, OPRM1, OPRD1 OPRK1 1/4885CYP2D6 513/4885CYP3A4 462/4885
US-20190269652-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR OPRK1, OPRM1, OPRD1 OPRK1 1/4885CYP2D6 513/4885CYP3A4 462/4885
US-11241415-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the κ opioid receptor OPRM1, OPRK1, OPRD1 OPRK1 2/4885CYP2D6 489/4885CYP3A4 423/4885
US-10322107-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the kappa opioid receptor OPRK1, OPRM1, OPRD1 OPRK1 1/4885CYP2D6 513/4885CYP3A4 462/4885

“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.