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
SCHEMBL76458 0.87 NR1H2 (0.54) ALDH1A1MAPTKDM4ELMNAGPR119
SCHEMBL1583382 0.87 ESR2 (0.52) ALDH1A1MAPTKDM4ELMNAGPR119
SCHEMBL12795832 0.87 GPR119 (0.54) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL14006539 0.86 HRH3 (0.52) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL1206883 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGPR119HRH3
SCHEMBL14899254 0.86 MEN1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2HRH3
SCHEMBL1583532 0.86 P2RX7 (0.51) ALDH1A1MAPTLMNAHRH3NR1H2
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.

Send feedback