SCHEMBL3258781

SCHEMBL3258781

CN(C(=O)Cc1ccccc1N)[C@H](CN1CC[C@H](O)C1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.74
CYP2D6 P10635 9/20 0.67
OPRM1 P35372 9/20 0.66
OPRD1 P41143 9/20 0.66

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
SCHEMBL9659093 1.00 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450317 1.00 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9659108 1.00 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL7942420 1.00 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450189 1.00 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9659100 1.00 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
Hydrochloric Acid SCHEMBL8008206 0.99 OPRK1 (0.72) OPRK1CYP2D6OPRM1OPRD1
Hydrochloric Acid SCHEMBL7640563 0.99 OPRK1 (0.72) OPRK1CYP2D6OPRM1OPRD1
Hydrochloric Acid SCHEMBL29878303 0.99 OPRK1 (0.72) OPRK1CYP2D6OPRM1OPRD1
Hydrochloric Acid SCHEMBL29877998 0.99 OPRK1 (0.72) OPRK1CYP2D6OPRM1OPRD1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 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
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 WO disclosed
US-7642274-B2 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-05 US disclosed
US-20070117853-A1 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD (JP) 2007-05-24 US disclosed
EP-1642590-A1 PAIN THRESHOLD FALL INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-6750216-B2 HETEROCYCLIC AMINES SUCH AS 2-(2-(N-METHYLSULFAMOYL)-4-METHOXY -PHENYL)-N-METHYL-N-((1S)-1-PHENYL-2-((1-PYRROLIDINYL)ETHYL)) ACETAMIDE, ADMINISTERED AS ANALGESICS ADOLOR CORPORATION 2004-06-15 US disclosed
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2003-07-31 US disclosed
US-5232978-A 1-(2-arylethyl)-pyrrolidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0483580-A2 1-(2-Arylethyl)-pyrrolidine MERCK PATENT GmbH (DE) 1992-05-06 EP 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 (7 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-20070117853-A1 Inhibitor of pain threshold decrease OPRD1, OPRK1, OPRL1 OPRK1 2/4885CYP2D6 3114/4885OPRM1 4/4885
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 322/4885OPRM1 3/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 322/4885OPRM1 3/4885
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 659/4885OPRM1 3/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 341/4885OPRM1 3/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 OPRK1 1/4885CYP2D6 371/4885OPRM1 4/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 OPRK1 1/4885CYP2D6 371/4885OPRM1 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.