SCHEMBL17870633

SCHEMBL17870633

CN(C(=O)Cc1ccccc1N)C(CN1CCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 1.00
CYP2D6 P10635 7/20 0.79
CYP3A4 P08684 2/20 0.72
TSHR P16473 2/20 0.72
CYP2C19 P33261 2/20 0.72
OPRD1 P41143 5/20 0.70
OPRM1 P35372 5/20 0.70
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
UTS2R Q9UKP6 1/20 0.62

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
SCHEMBL5631993 1.00 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL10434633 0.91 OPRK1 (0.84) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6478584 0.90 OPRK1 (0.82) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL5631924 0.90 OPRK1 (0.82) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL10434975 0.88 OPRK1 (0.79) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6480763 0.88 OPRK1 (0.78) OPRK1CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL5842166 0.87 OPRK1 (0.98) OPRK1CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL5842170 0.87 OPRK1 (0.98) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6478413 0.87 OPRK1 (0.77) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL7722061 0.87 OPRK1 (0.76) 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 9 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-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-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
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.