SCHEMBL14648463

SCHEMBL14648463

N#C[C@@H](N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
HSD11B1 P28845 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FPR1 P21462 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
GRM5 P41594 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PIM1 P11309 1/20 0.32
TNF P01375 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
SCHEMBL14648458 0.91 EPHX2 (0.36) EPHX2HSD11B1TDP1FPR1TSHR
SCHEMBL14175279 0.75 EPHX2 (0.40) EPHX2FPR1TSHRKDM4EHTT
SCHEMBL14175420 0.75 EPHX2 (0.40) EPHX2FPR1TSHRKDM4EHTT
SCHEMBL4946433 0.73 ALDH1A1 (0.43) EPHX2TDP1FPR1TSHRKDM4E
SCHEMBL4951450 0.73 ALDH1A1 (0.43) EPHX2TDP1FPR1TSHRKDM4E
SCHEMBL29617263 0.73 EPHX2 (0.39) EPHX2FPR1TSHRKDM4EHTT
SCHEMBL4951371 0.73 MEN1 (0.40) EPHX2TDP1FPR1TSHRKDM4E
SCHEMBL31756476 0.72 ALDH1A1 (0.42) EPHX2TDP1FPR1TSHRKDM4E
SCHEMBL14648459 0.72 EPHX2 (0.41) EPHX2TSHRHTTLMNAALDH1A1
SCHEMBL30285916 0.71 EPHX2 (0.38) EPHX2TSHRKDM4EHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150511-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE US LLC (US) 2015-10-06 US disclosed
US-9150511-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE US LLC (US) 2015-10-06 US disclosed
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2014-08-21 US disclosed
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2014-08-21 US disclosed
US-8748631-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE, LLC (US) 2014-06-10 US disclosed
US-8748631-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE, LLC (US) 2014-06-10 US disclosed
US-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2013-01-24 US disclosed
US-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2013-01-24 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 (2 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-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF DPP4, DPP3, DPP8 EPHX2 1686/4885HSD11B1 1415/4885TDP1 4006/4885
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF DPP4, DPP3, DPP8 EPHX2 1686/4885HSD11B1 1415/4885TDP1 4006/4885

“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.