SCHEMBL7268908

SCHEMBL7268908

CCC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.79
CCR8 P51685 1/20 0.74
POLB P06746 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68

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
Hydrochloric Acid SCHEMBL29640479 0.99 SIGMAR1 (0.77) SIGMAR1CCR8POLBL3MBTL1
SCHEMBL9852459 0.89 SIGMAR1 (0.75) SIGMAR1POLBL3MBTL1
SCHEMBL4730146 0.89 SIGMAR1 (0.75) SIGMAR1POLBL3MBTL1
SCHEMBL5862113 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL6750438 0.87 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
SCHEMBL12642482 0.87 SIGMAR1 (0.72) SIGMAR1CCR8
SCHEMBL5124505 0.87 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1
SCHEMBL29640480 0.87 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1
SCHEMBL3075354 0.87 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1
SCHEMBL4592787 0.86 SIGMAR1 (0.73) SIGMAR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3183232-B1 SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION UNIV ARIZONA (US) 2023-05-03 EP claimed
WO-2023133135-A2 SMALL MOLECULE ADRENORECEPTOR ANTAGONISTS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-07-13 WO disclosed
EP-3183232-B1 SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION UNIV ARIZONA (US) 2023-05-03 EP disclosed
EP-3183232-B1 SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION UNIV ARIZONA (US) 2023-05-03 EP disclosed
US-11440885-B2 Substituted 1-arylalkyl-4-acylaminopiperidine compounds and methods of producing and using the same ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERISTY OF ARIZONA (US) 2022-09-13 US disclosed
EP-4010341-A1 TRKB POSITIVE ALLOSTERIC MODULATORS Université de Strasbourg (FR) 2022-06-15 EP disclosed
US-20200222380-A1 Substituted 1-Arylalkyl-4-Acylaminopiperidine Compounds and Methods of Producing and Using the Same ARIZONA BOARD OF REGENTS on behalf of THE UNIVERSITY OF ARIZONA, A BODY CORPORATE (US) 2020-07-16 US disclosed
US-10617681-B2 1-arylalkyl-4-acylaminopiperidine compounds ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-04-14 US disclosed
US-20190134018-A1 1-ARYLALKYL-4-ACYLAMINOPIPERIDINE COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-05-09 US disclosed
US-20190055217-A1 PIPERIDINYLALKYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-02-21 US disclosed
WO-2016029218-A1 SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-25 WO disclosed
WO-2016029218-A1 SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-25 WO disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
US-5214055-A Analgesics, psychological disorders, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5189045-A Antiserotonine agent ADIR ET COMPAGNIE (FR) 1993-02-23 US disclosed
EP-0457686-A1 Novel aminopiperidine, aminopyrrolidine and aminoperhydroazepine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-11-21 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 (5 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-20190055217-A1 PIPERIDINYLALKYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRK1, OPRM1 SIGMAR1 5/4885CCR8 754/4885POLB 657/4885
US-20200222380-A1 Substituted 1-Arylalkyl-4-Acylaminopiperidine Compounds and Methods of Producing and Using the Same HRH4, OPRL1, OPRK1 SIGMAR1 70/4885CCR8 114/4885POLB 3955/4885
US-20190134018-A1 1-ARYLALKYL-4-ACYLAMINOPIPERIDINE COMPOUNDS NR5A2, NR0B1, NR4A3 SIGMAR1 294/4885CCR8 568/4885POLB 4249/4885
US-11440885-B2 Substituted 1-arylalkyl-4-acylaminopiperidine compounds and methods of producing and using the same HRH4, OPRL1, OPRK1 SIGMAR1 70/4885CCR8 114/4885POLB 3955/4885
US-10617681-B2 1-arylalkyl-4-acylaminopiperidine compounds NR5A2, NR0B1, NR4A3 SIGMAR1 294/4885CCR8 568/4885POLB 4249/4885

“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.