SCHEMBL1665532

SCHEMBL1665532

COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 6/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSD P07339 1/20 0.47
CTSE P14091 1/20 0.47
BACE1 P56817 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
STS P08842 1/20 0.46
NR1H2 P55055 2/20 0.45
LIPE Q05469 1/20 0.44
MMP13 P45452 1/20 0.43

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
SCHEMBL1583382 0.87 ESR2 (0.52) ALDH1A1MAPTKDM4ELMNAGPR119
SCHEMBL12795832 0.87 GPR119 (0.54) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL76458 0.87 NR1H2 (0.54) ALDH1A1MAPTKDM4ELMNAGPR119
SCHEMBL14006539 0.86 HRH3 (0.52) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL1583532 0.86 P2RX7 (0.51) ALDH1A1MAPTLMNAHRH3NR1H2
SCHEMBL1206883 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGPR119HRH3
SCHEMBL14899254 0.86 MEN1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2HRH3
SCHEMBL3068738 0.85 GPR119 (0.53) ALDH1A1MAPTKDM4ELMNAGPR119
SCHEMBL1016440 0.85 NR1H2 (0.52) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL1082128 0.85 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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 (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-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 ALDH1A1 1586/4885MAPT 2812/4885KDM4E 1238/4885
US-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP ALDH1A1 661/4885MAPT 41/4885KDM4E 453/4885

“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.