Tolafentrine

Tolafentrine

SCHEMBL159331

COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 1.00
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
GHSR Q92847 2/20 0.44
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
HTR1D P28221 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NR2F2 P24468 1/20 0.39
PKM P14618 2/20 0.39
NOD2 Q9HC29 1/20 0.39
NPY5R Q15761 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38

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
Tolafentrine SCHEMBL4450984 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
Tolafentrine SCHEMBL8326829 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
Tolafentrine SCHEMBL29992625 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7211678 0.94 PDE4D (0.89) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7210124 0.94 PDE4D (0.89) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL8326816 0.93 PDE4D (0.87) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8326810 0.93 PDE4D (0.87) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7356403 0.92 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7356412 0.92 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7215044 0.91 PDE4D (0.83) PDE4DPDE4APDE4BPDE4CGHSR

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 1252 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196821-A2 TARGETING NEUROPOD CELL GUCY2C TO CONTROL VISCERAL PAIN AND APPETITE THOMAS JEFFERSON UNIVERSITY (US) 2023-10-12 WO claimed
EP-2828242-B1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. ALMIRALL SA (ES) 2017-10-04 EP claimed
CN-104203918-B Novel polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(r)-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one, heminapadisylate as agonist of the beta2 adrenergic receptor. 阿尔米雷尔有限公司 2017-01-18 CN claimed
US-9346759-B2 Polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one, heminapadisytlate as agonist of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2016-05-24 US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP claimed
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2015-03-05 US claimed
US-20150057256-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL S.A. (ES) 2015-02-26 US claimed
EP-2834219-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE Almirall S.A. (ES) 2015-02-11 EP claimed
EP-2828242-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. Almirall S.A. (ES) 2015-01-28 EP claimed
EP-1118615-A1 NOVEL SALTS OF PYRIDOPYRAZINE COMPOUND AND CRYSTALS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-25 EP claimed
EP-1109543-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-06-27 EP claimed
US-6197782-B1 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2001-03-06 US claimed
US-6156753-A Local administration of type III phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-12-05 US claimed
WO-2000012076-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2000-08-17 WO claimed
EP-1012188-A1 COMPOSITION FOR TREATING DIABETES MELLITUS AND OBESITY FORSSMANN, Wolf-Georg, Prof. Dr. (DE) 2000-06-28 EP claimed
WO-2000012076-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO claimed
EP-0904266-A1 NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS Nitromed, Inc. (US) 1999-03-31 EP claimed
WO-1999014239-A1 COMPOSITION FOR TREATING DIABETES MELLITUS AND OBESITY FORSSMANN WOLF GEORG (DE) 1999-03-25 WO claimed
WO-1997034871-A1 NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS NITROMED, INC. (US) 1997-09-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150057256-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ADRA2C, ADRB2, ADRA2A PDE4D 386/4885PDE4A 367/4885PDE4B 274/4885
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE SULT2A1, SULT1E1, SULT1A1 PDE4D 3785/4885PDE4A 4246/4885PDE4B 4063/4885

“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.