SCHEMBL2290995

SCHEMBL2290995

C[Si](C)(C)C#CC1=CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.44
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
GPX4 P36969 1/20 0.30
QDPR P09417 1/20 0.30

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
SCHEMBL31558715 0.89 GRM5 (0.43) GRM5DRD2DRD4DRD3SMN1; SMN2
SCHEMBL31558707 0.88 GRM5 (0.42) GRM5DRD2DRD4DRD3
SCHEMBL31558712 0.85 GRM5 (0.40) GRM5DRD2DRD4DRD3MEN1
SCHEMBL2892482 0.83 GRM5 (0.43) GRM5ALDH1A1SMN1; SMN2KCNH2HRH3
SCHEMBL31558705 0.83 NAMPT (0.39) GRM5DRD2DRD4DRD3
SCHEMBL31558699 0.83 NAMPT (0.39) GRM5DRD2DRD4DRD3
SCHEMBL30858355 0.83 AKR1C3 (0.40) GRM5ALDH1A1MEN1KMT2ATSHR
SCHEMBL5796435 0.82 GRM5 (0.57) GRM5
SCHEMBL3348910 0.82 GRM5 (0.66) GRM5SMN1; SMN2
SCHEMBL31558708 0.82 GRM5 (0.42) GRM5ALDH1A1SMN1; SMN2KMT2ATSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989620-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2011-08-02 US disclosed
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-7648992-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ERIKSSON ANDERS 2009-12-03 US disclosed
EP-1778673-B1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRAZENECA AB (SE) 2009-11-11 EP disclosed
CN-100543024-C The hydantoin derivatives that is used for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2009-09-23 CN disclosed
EP-1732903-B1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
EP-1638491-A4 DEPLOYABLE MULTIFUNCTIONAL HEMOSTATIC AGENT UNIV LOMA LINDA MED (US) 2008-05-28 EP disclosed
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd ASTRAZENECA AB (SE) 2007-09-20 US disclosed
CN-1980914-A Novel hydantoin derivatives for the treatment of obstructive airway diseases. ASTRAZENECA AB (SE) 2007-06-13 CN disclosed
CN-1960979-A Triazolone derivatives as MMP inhibitors for the treatment of asthma and copd ASTRAZENECA AB (SE) 2007-05-09 CN disclosed
EP-1638491-A2 DEPLOYABLE MULTIFUNCTIONAL HEMOSTATIC AGENT Loma Linda University Medical Center (US) 2006-03-29 EP disclosed
WO-2005002510-A2 DEPLOYABLE MULTIFUNCTIONAL HEMOSTATIC AGENT LOMA LINDA UNIVERSITY MEDICAL CENTER (US) 2005-01-13 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 (4 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-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd MMP9, MMP3, MMP25 GRM5 2004/4885DRD2 1910/4885DRD4 2005/4885
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD MMP3, MMP9, MMP25 GRM5 1923/4885DRD2 1977/4885DRD4 2201/4885
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 GRM5 2437/4885DRD2 2371/4885DRD4 3693/4885
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 GRM5 2364/4885DRD2 2473/4885DRD4 3786/4885

“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.