Verlukast

Verlukast

SCHEMBL156453

CN(C)C(=O)CCSC(SCCC(=O)[O-])c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 known ✓ Q9Y271 6/20 1.00
ABCC1 P33527 4/20 1.00
CYSLTR2 Q9NS75 4/20 1.00
ABCC2 Q92887 3/20 1.00
MEN1 O00255 1/20 0.84
ABCC3 O15438 1/20 0.84
ABCC4 O15439 1/20 0.84
ABCC5 O15440 1/20 0.84
SLCO2B1 O94956 1/20 0.84
ABCB11 O95342 1/20 0.84
KMT2A Q03164 1/20 0.84
SLCO1B3 Q9NPD5 1/20 0.84
ABCG2 Q9UNQ0 1/20 0.84
SLCO1B1 Q9Y6L6 1/20 0.84

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
Verlukast SCHEMBL26976748 1.00 CYSLTR1 (1.00) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Verlukast SCHEMBL31237455 1.00 CYSLTR1 (1.00) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
SCHEMBL17833480 0.92 CYSLTR1 (0.89) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Verlukast SCHEMBL37247 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Verlukast SCHEMBL2729252 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Mk-571 SCHEMBL9231584 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Verlukast SCHEMBL37246 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Mk-571 SCHEMBL30509651 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Verlukast SCHEMBL156454 0.91 CYSLTR1 (0.98) CYSLTR1ABCC1CYSLTR2ABCC2MEN1
Mk-571 SCHEMBL156452 0.91 CYSLTR1 (0.98) CYSLTR1ABCC1CYSLTR2ABCC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369321-A1 COMPOSITIONS AND METHODS FOR TREATING CONDITIONS RELATED TO ADRENOCORTICAL ACTIVITY AND/OR EXCESSIVE STEROID PRODUCTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-12-27 US claimed
US-4851409-A LEUKOTRIENE ANTAGONIST, ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY, CYTOPROTECTIVE MERCK FROSST CANADA INC. (CA) 1989-07-25 US claimed
US-20250092042-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
US-12157737-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2024-12-03 US disclosed
CN-118746695-A Screening method of adenosine triphosphate binding cassette transporter substrate 清华大学 2024-10-08 CN disclosed
US-20240043425-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2024-02-08 US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed
US-20220347309-A1 PYRROLOBENZODIAZEPINE RESISTANCE OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2022-11-03 US disclosed
WO-2022034529-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2022-02-17 WO disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 US disclosed
WO-2005115467-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115466-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND CORTICOSTEROIDS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115462-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115465-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
US-20050267135-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors ESCARDO JORDI G 2005-12-01 US disclosed
US-20050267078-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists GRAS ESCARDO JORDI 2005-12-01 US disclosed
US-5428171-A Leukotrienes antagonist; antiasthmatic, antiallergic, anti-inflammatory and cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-4851409-A LEUKOTRIENE ANTAGONIST, ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY, CYTOPROTECTIVE MERCK FROSST CANADA INC. (CA) 1989-07-25 US disclosed
EP-0233763-A2 2-Substituted quinoline dioic acids MERCK FROSST CANADA INC. (CA) 1987-08-26 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 (8 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-12157737-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 CYSLTR1 2201/4885ABCC1 254/4885CYSLTR2 2646/4885
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 CYSLTR1 2201/4885ABCC1 254/4885CYSLTR2 2646/4885
US-20220347309-A1 PYRROLOBENZODIAZEPINE RESISTANCE DCTD, FANCD2, CD79B CYSLTR1 3593/4885ABCC1 152/4885CYSLTR2 2824/4885
US-20240043425-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 CYSLTR1 2201/4885ABCC1 254/4885CYSLTR2 2646/4885
US-20050267135-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors CHRM3, PDE4A, CHRM4 CYSLTR1 197/4885ABCC1 1464/4885CYSLTR2 186/4885
US-20050267078-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists ADRB2, ADRB3, CHRM3 CYSLTR1 92/4885ABCC1 1053/4885CYSLTR2 54/4885
US-20250092042-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, PKD1, PKD2 CYSLTR1 2354/4885ABCC1 245/4885CYSLTR2 2928/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 CYSLTR1 2201/4885ABCC1 254/4885CYSLTR2 2646/4885

“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.