SCHEMBL4821143

SCHEMBL4821143

CON(C)C(=O)c1cc2n(n1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
SLC6A3 Q01959 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
NTRK1 P04629 1/20 0.33
LDHA P00338 1/20 0.33
MLYCD O95822 1/20 0.32

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
SCHEMBL31437151 0.83 PDCD1 (0.31) SLC6A3HDAC6
SCHEMBL15273696 0.79 ALDH1A1 (0.41) PDK1PDK2HTR2AHTR2CHDAC6
SCHEMBL26686537 0.77 NR1H2 (0.42) HDAC6
SCHEMBL1423019 0.75 HTR2A (0.40) PDK1PDK2HTR2AHTR2CLDHA
SCHEMBL22275219 0.75 ALDH1A1 (0.43) HTR2AHTR2CLDHA
SCHEMBL31389508 0.74 ALDH1A1 (0.42) HTR2AHTR2CLDHA
SCHEMBL20228734 0.71 HTR2A (0.38) PDK1PDK2HTR2AHTR2CNTRK1
SCHEMBL16093626 0.70 TACR1 (0.35) HTR2A
SCHEMBL22518543 0.70 HTR2A (0.40) PDK1PDK2HTR2AHTR2CHDAC6
SCHEMBL20645822 0.70 RIPK1 (0.33) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009634-A1 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2008-01-10 US claimed
US-20040242874-A1 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION 2004-12-02 US claimed
US-20080009634-A1 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2008-01-10 US disclosed
US-20080009634-A1 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2008-01-10 US disclosed
US-20080009634-A1 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2008-01-10 US disclosed
US-7316917-B2 Production of bicyclic-heteroaryl-2-carboxylic acids by selective enzymatic hydrolysis of a mixture of positional esters WYETH HOLDINGS CORPORATION (US) 2008-01-08 US disclosed
US-7276611-B2 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2007-10-02 US disclosed
US-7276611-B2 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2007-10-02 US disclosed
US-7276611-B2 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2007-10-02 US disclosed
EP-1626972-A1 PROCESS FOR SYNTHESIZING ß-LACTAMASE INHIBITOR INTERMEDIATES Wyeth Holdings Corporation (US) 2006-02-22 EP disclosed
US-20040242874-A1 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION 2004-12-02 US disclosed
WO-2004104008-A1 PROCESS FOR SYNTHESIZING β-LACTAMASE INHIBITOR INTERMEDIATES WYETH HOLDINGS CORPORATION (US) 2004-12-02 WO disclosed
US-20040229324-A1 Production of bicyclic-heteroaryl-2-carboxylic acids by selective enzymatic hydrolysis of a mixture of positional esters WYETH HOLDINGS CORPORATION 2004-11-18 US 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 (3 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-20080009634-A1 Process for synthesizing beta-lactamase inhibitor intermediates COASY, DCXR, MGAM PDK1 1267/4885PDK2 804/4885SLC6A3 4748/4885
US-20040229324-A1 Production of bicyclic-heteroaryl-2-carboxylic acids by selective enzymatic hydrolysis of a mixture of positional esters COASY, CES2, CES1 PDK1 833/4885PDK2 419/4885SLC6A3 4410/4885
US-20040242874-A1 Process for synthesizing beta-lactamase inhibitor intermediates COASY, DCXR, MGAM PDK1 1224/4885PDK2 830/4885SLC6A3 4736/4885

“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.