Entacapone

Entacapone

SCHEMBL34504

CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

COMT

The experimentally established mechanism targets of Entacapone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
COMT known ✓ P21964 5/20 1.00
FTO Q9C0B1 8/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ABCC3 O15438 1/20 1.00
ABCC4 O15439 1/20 1.00
ABCB11 O95342 1/20 1.00
LMNA P02545 1/20 1.00
CYP2C9 P11712 1/20 1.00
GPR35 Q9HC97 1/20 1.00
EGFR P00533 1/20 0.62
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
RECQL P46063 1/20 0.60

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
Entacapone SCHEMBL3395296 1.00 FTO (1.00) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL34505 1.00 FTO (1.00) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL29356206 1.00 FTO (1.00) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL3934631 1.00 FTO (1.00) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL29406523 1.00 FTO (1.00) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL27766815 0.99 FTO (0.98) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL4940150 0.98 FTO (0.96) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL4940155 0.98 FTO (0.96) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL26128138 0.97 FTO (0.94) FTOCOMTMEN1KMT2AABCC3
Entacapone SCHEMBL3972337 0.96 FTO (0.92) FTOCOMTMEN1KMT2AABCC3

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

Appears in 18835 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3607938-B1 PHARMACEUTICAL COMPOSITION SOVIC BRKICIC LJILJANA (HR) 2026-05-27 EP claimed
WO-2026106939-A1 IMPROVING SYMPTOMS IN MID- TO LATE-STAGE PARKINSON'S DISEASE PATIENTS USING WITH DEEP BRAIN STIMULATION VANDERBILT UNIVERSITY (US) 2026-05-21 WO claimed
US-20260130881-A1 SUSTAINED RELEASE DEVICE CONTENTS FOR TREATMENT OF PARKINSON'S DISEASE AND OTHER DISORDERS BUSHARA KHALAFALLA (US) 2026-05-14 US claimed
US-20260131140-A1 MODIFYING EARLY-STAGE PARKINSON'S DISEASE PROGRESSION WITH DEEP BRAIN STIMULATION VANDERBILT UNIV (US) 2026-05-14 US claimed
EP-4739298-A1 ACTIVATORS OF THE XC- SYSTEM AND/OR GPX-4 FOR TREATING CONDITIONS ASSOCIATED WITH CONE PHOTORECEPTOR DEGENERATION SORBONNE UNIVERSITE (FR) 2026-05-13 EP claimed
US-12616807-B2 Medical counter measures including dry powder formulations and associated methods Belhaven BioPharma Inc. (US) 2026-05-05 US claimed
EP-4724049-A1 MODIFIED RELEASE FILL COMPOSITIONS FOR DOSAGE FORMS AND METHODS OF PREPARATION AND USE THEREOF Catalent Ontario Limited (CA) 2026-04-15 EP claimed
US-12594388-B2 Device to deliver a predetermined amount of a substance to a natural orifice of the body APTARGROUP, INC. (US) 2026-04-07 US claimed
US-20260091047-A1 THERAPEUTIC COMBINATIONS FOR MOVEMENT DISORDERS NATIVE CODE BIO LLC (US) 2026-04-02 US claimed
US-12582601-B2 Orodispersible powder composition BIOPHARMA SYNERGIES, S.L. (ES) 2026-03-24 US claimed
WO-1998031355-A2 PHARMACEUTICAL COMPOSITION COMPRISING N-PROPYLNORAPOMORPHINE AND CATHECOL-O-METHYL-TRANSFERASE INHIBITOR FOR TREATING PARKINSON'S DISEASE BRITANNIA PHARMACEUTICALS LIMITED (GB) 1998-07-23 WO claimed
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP claimed
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP claimed
EP-0426468-B1 Stabile polymorphic form of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide and the process for its preparation ORION YHTYMAE OY (FI) 1995-09-06 EP claimed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US claimed
US-5135950-A Crystallized from lower aliphatic carboxylic acid with hydrochloric or hydrobromic acid catalyst ORION-YHTYMA OY (FI) 1992-08-04 US claimed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US claimed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP claimed
EP-0426468-A2 Stabile polymorphic form of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide and the process for its preparation ORION-YHTYMÄ OY (FI) 1991-05-08 EP claimed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US claimed