SCHEMBL1778320

SCHEMBL1778320

CC(=O)C=C1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL319395 0.82
SCHEMBL3464502 0.78 ITGB3 (0.33)
SCHEMBL1581890 0.77
SCHEMBL661753 0.77
SCHEMBL20221600 0.76
SCHEMBL21017064 0.76 MAPT (0.30)
SCHEMBL3264014 0.76 TSHR (0.39)
SCHEMBL15114370 0.76
SCHEMBL15116856 0.76 ALDH1A1 (0.34)
SCHEMBL13065405 0.75 CHRNB2 (0.32) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551632-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION THERAPEUTICS AS (DK) 2024-06-12 EP disclosed
US-20220362259-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2022-11-17 US disclosed
US-11065257-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-07-20 US disclosed
US-11065257-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-07-20 US disclosed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
EP-3475262-B1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP disclosed
EP-3475262-B1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP disclosed
US-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-02-02 US disclosed
US-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-02-02 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-8084649-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20100173774-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-08 US disclosed
EP-2121584-A2 NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-11-25 EP disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 US disclosed
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
EP-1863814-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107851-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 SMN1; SMN2 4348/4885GAA 1556/4885CHRNB2 1734/4885
US-20220362259-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE12 SMN1; SMN2 4348/4885GAA 1556/4885CHRNB2 1734/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 SMN1; SMN2 2832/4885GAA 3814/4885CHRNB2 4204/4885
US-11065257-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 SMN1; SMN2 4348/4885GAA 1556/4885CHRNB2 1734/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885GAA 931/4885CHRNB2 4868/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD SMN1; SMN2 4024/4885GAA 1281/4885CHRNB2 1957/4885
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases IL2, IL4, IFNG SMN1; SMN2 4525/4885GAA 2310/4885CHRNB2 4714/4885

“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.