SCHEMBL8692987

SCHEMBL8692987

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

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.75
OPRD1 P41143 8/20 0.74
OPRM1 P35372 2/20 0.74
ALDH1A1 P00352 1/20 0.74
TP53 P04637 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
TSHR P16473 1/20 0.74
MAPK1 P28482 1/20 0.74
CYP2C19 P33261 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
UTS2R Q9UKP6 1/20 0.74

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
SCHEMBL21119745 1.00 OPRK1 (0.75) OPRK1OPRD1OPRM1ALDH1A1TP53
SCHEMBL8692862 0.90 OPRD1 (0.75) OPRK1OPRD1OPRM1ALDH1A1TP53
SCHEMBL17764953 0.88 OPRK1 (0.59) OPRK1OPRD1OPRM1ALDH1A1TP53
SCHEMBL17776412 0.88 OPRK1 (0.59) OPRK1OPRD1OPRM1ALDH1A1TP53
SCHEMBL17764954 0.88 OPRK1 (0.59) OPRK1OPRD1OPRM1ALDH1A1TP53
SCHEMBL19753585 0.88 OPRK1 (0.80) OPRK1OPRD1OPRM1CYP3A4CYP2D6
SCHEMBL5629451 0.87 OPRK1 (0.79) OPRK1OPRD1OPRM1CYP3A4CYP2D6
SCHEMBL5631266 0.86 OPRK1 (0.66) OPRK1OPRD1OPRM1ALDH1A1TP53
SCHEMBL9457102 0.86 OPRD1 (0.81) OPRK1OPRD1OPRM1ALDH1A1TP53
SCHEMBL9457235 0.86 OPRD1 (0.81) OPRK1OPRD1OPRM1ALDH1A1TP53

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 30 patents — showing the first 20. 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-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 US disclosed
US-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 US disclosed
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2019-11-21 US disclosed
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2019-11-21 US disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 US disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 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-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 US 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
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 US disclosed
EP-3013812-A2 KAPPA OPIOID AGONISTS AND USES THEREOF Nektar Therapeutics (US) 2016-05-04 EP disclosed
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 WO disclosed
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 WO disclosed
US-5804595-A ANTIINFLAMMATORY AGENT TO TREAT PAIN CAUSED BY RHEUMATOID ARTHRITIS AND LAPAROSCOPIC SURGERY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-09-08 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 (6 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-20190269652-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR OPRK1, OPRM1, OPRD1 OPRK1 1/4885OPRD1 3/4885OPRM1 2/4885
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885OPRM1 3/4885
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 2/4885OPRD1 3/4885OPRM1 1/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885OPRM1 3/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885OPRM1 3/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 OPRK1 1/4885OPRD1 2/4885OPRM1 4/4885

“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.