SCHEMBL2685199

SCHEMBL2685199

CC(C)(C)OC(=O)COc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MET P08581 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.32
AGTR1 P30556 1/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
GBA1 P04062 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1191026 0.86 PTGS2 (0.40) ALDH1A1HTTMAPTGAASMN1; SMN2
SCHEMBL31339552 0.86 PTGS2 (0.40) ALDH1A1HTTMAPTGAASMN1; SMN2
SCHEMBL751950 0.84 LMNA (0.41) ALDH1A1HTTMAPTGAASMN1; SMN2
SCHEMBL30046816 0.84 LMNA (0.41) ALDH1A1HTTMAPTGAASMN1; SMN2
SCHEMBL2686001 0.81 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL2685997 0.81 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL26590169 0.80 AAK1 (0.40) AAK1GAAMET
SCHEMBL29629166 0.80 AAK1 (0.40) AAK1GAAMET
SCHEMBL26590183 0.79 PDK2 (0.38) AAK1ALDH1A1HTTMAPTGAA
SCHEMBL29968591 0.79 PDK2 (0.38) AAK1ALDH1A1HTTMAPTGAA

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-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A AAK1 1582/4885ALDH1A1 2340/4885HTT 2537/4885

“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.