SCHEMBL2097994

SCHEMBL2097994

CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.49
DRD2 P14416 1/20 0.44
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK1 P23458 5/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 2/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1779755 1.00 RET (0.49) RETDRD2MAPTL3MBTL1KMT2A
SCHEMBL1022293 0.85 POLB (0.47) MAPTL3MBTL1KMT2APOLBHSP90AA1
SCHEMBL3669282 0.84 MAPT (0.59) RETDRD2MAPTL3MBTL1KMT2A
SCHEMBL1091189 0.82 MAPT (0.54) DRD2MAPTL3MBTL1POLBMAPK1
SCHEMBL1091477 0.82 MAPT (0.54) DRD2MAPTL3MBTL1POLBMAPK1
SCHEMBL1091187 0.82 MAPT (0.54) DRD2MAPTL3MBTL1POLBMAPK1
SCHEMBL2097215 0.82 RET (0.49) RETL3MBTL1KMT2AJAK1JAK2
SCHEMBL2097214 0.82 RET (0.49) RETL3MBTL1KMT2AJAK1JAK2
SCHEMBL2426807 0.82 RET (0.51) RETL3MBTL1KMT2AJAK1JAK2
SCHEMBL2426809 0.82 RET (0.51) RETL3MBTL1KMT2AJAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 RET 4286/4885DRD2 1690/4885MAPT 3067/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 RET 4259/4885DRD2 1731/4885MAPT 3414/4885

“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.