SCHEMBL4477066

SCHEMBL4477066

COc1ccc2cccc(C(O)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
KCNA3 P22001 1/20 0.43
KCNH2 Q12809 1/20 0.42
PARP1 P09874 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
DRD2 P14416 4/20 0.40
CCR5 P51681 1/20 0.40
DRD3 P35462 1/20 0.39
KDM4D Q6B0I6 1/20 0.38

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
SCHEMBL3209072 0.90 MTNR1A (0.44) SLC2A1MTNR1AMTNR1BKCNA3PARP1
SCHEMBL3154477 0.90 MTNR1A (0.44) SLC2A1MTNR1AMTNR1BKCNA3PARP1
SCHEMBL4428657 0.90 MTNR1A (0.44) SLC2A1MTNR1AMTNR1BKCNA3PARP1
SCHEMBL5726714 0.86 SLC2A1 (0.61) SLC2A1KCNH2
SCHEMBL4491260 0.82 MTNR1A (0.47) MTNR1AMTNR1BKCNA3PARP1CKS1B
SCHEMBL4468563 0.80 KCNH2 (0.43) SLC2A1MTNR1AMTNR1BKCNH2
SCHEMBL5744343 0.79 KCNH2 (0.49) SLC2A1KCNH2CKS1BSKP1SKP2
SCHEMBL3144945 0.78 KCNA3 (0.40) SLC2A1MTNR1AMTNR1BKCNA3KCNH2
SCHEMBL1267791 0.78 SLC2A1 (0.40) SLC2A1MTNR1AMTNR1BKCNA3KCNH2
SCHEMBL3148938 0.78 SLC2A1 (0.41) SLC2A1MTNR1AMTNR1BKCNA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (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-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 SLC2A1 3520/4885MTNR1A 1439/4885MTNR1B 312/4885

“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.