SCHEMBL300073

SCHEMBL300073

[CH2]C(Cc1ccccc1)C1=COCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
TAAR1 Q96RJ0 4/20 0.33
SLC6A2 P23975 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.32
SLC18A2 Q05940 1/20 0.32
ANPEP P15144 1/20 0.32
CYP2D6 P10635 1/20 0.32
MIF P14174 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALPI P09923 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL406396 0.83 MIF (0.39) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3208887 0.81 MIF (0.37) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL506238 0.81 LMNA (0.37) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3748652 0.80 TRPA1 (0.40) EPHX1CYP1A2ANPEPMIFALPI
SCHEMBL938718 0.80 EPHX1 (0.37) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL4869728 0.79 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Hydrochloric Acid SCHEMBL3569025 0.79 EPHX1 (0.36) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1155558 0.77 TRPA1 (0.38) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1430902 0.76 MIF (0.56) CYP1A2MIFKMT2AALPIPKM
SCHEMBL3558393 0.76 MIF (0.36) EPHX1TAAR1CYP1A2MIFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1781607-A2 PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-05-09 EP claimed
WO-2006018708-A2 PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-23 WO claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO claimed
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed
EP-4275752-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2023-11-15 EP disclosed
US-20230110784-A1 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION 2023-04-13 US disclosed
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2021-12-28 US disclosed
US-20190183824-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION 2019-06-20 US disclosed
US-20190134055-A1 Treatment of Addiction and Impulse-control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2019-05-09 US disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO 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 (7 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 EPHX1 1628/4885TAAR1 729/4885SLC6A2 1058/4885
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors PDE7B, PDE4C, PDE4A EPHX1 2003/4885TAAR1 56/4885SLC6A2 35/4885
US-20230110784-A1 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS PDE7B, PDE4C, PDE4A EPHX1 2003/4885TAAR1 56/4885SLC6A2 35/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 EPHX1 1566/4885TAAR1 739/4885SLC6A2 2582/4885
US-20190134055-A1 Treatment of Addiction and Impulse-control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A EPHX1 2003/4885TAAR1 56/4885SLC6A2 35/4885
US-20190183824-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A EPHX1 2479/4885TAAR1 1344/4885SLC6A2 153/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 EPHX1 1673/4885TAAR1 848/4885SLC6A2 1069/4885

“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.