SCHEMBL2232142

SCHEMBL2232142

O=C([O-])C1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)ccc3n2)CC1.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 2/20 1.00
PDE4B known ✓ Q07343 2/20 1.00
PDE4C known ✓ Q08493 2/20 1.00
PDE4D known ✓ Q08499 2/20 1.00
PDE5A O76074 6/20 1.00
PDE2A O00408 1/20 1.00
PDE1A P54750 1/20 1.00
PDE1B Q01064 1/20 1.00
PDE1C Q14123 1/20 1.00
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH4 Q9H3N8 10/20 0.51
HTR3A P46098 3/20 0.50
KDM4E B2RXH2 2/20 0.49
HRH1 P35367 2/20 0.49
RXFP1 Q9HBX9 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
Potassium Ion SCHEMBL7504145 0.98 PDE5A (0.97) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL149748 0.92 PDE4A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL29801523 0.92 PDE4A (0.98) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5917668 0.92 PDE4A (0.98) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7504141 0.92 PDE4A (0.98) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5917665 0.92 PDE4A (0.98) PDE5APDE4APDE4BPDE4CPDE4D
Potassium SCHEMBL7504150 0.92 PDE4A (0.98) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7502602 0.92 PDE4A (0.98) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7500079 0.91 PDE4A (0.87) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7502434 0.89 PDE4A (0.92) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387433-A1 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2022-12-08 US claimed
EP-4058026-A2 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM American Regent, Inc. (US) 2022-09-21 EP claimed
CN-114929233-A Phosphodiesterase type V inhibitor compositions, methods of making them, and methods of using them 美国瑞根特有限公司 2022-08-19 CN claimed
WO-2021096871-A2 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2021-05-20 WO claimed
EP-0754069-B1 TREATMENT OF PULMONARY VASOCONSTRICTION AND ASTHMA GEN HOSPITAL CORP (US) 2004-06-23 EP claimed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
US-6403597-B1 PRETREATMENT SEXUAL INTERCOURSE VIVUS, INC. 2002-06-11 US claimed
US-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation VIVUS, INC. 2002-03-28 US claimed
JP-9059159-A None JP disclosed
US-20220387433-A1 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2022-12-08 US disclosed
US-20220387433-A1 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2022-12-08 US disclosed
EP-4058026-A2 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM American Regent, Inc. (US) 2022-09-21 EP disclosed
EP-4058026-A2 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM American Regent, Inc. (US) 2022-09-21 EP disclosed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
JP-H0959159-A MEDICINAL COMPOSITION IMPROVED IN ABSORPTION EISAI CO LTD 1997-03-04 JP disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 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 (1 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-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation PDE5A, PDE3B, PDE3A PDE4A 5/4885PDE4B 8/4885PDE4C 7/4885

“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.