SCHEMBL12128199

SCHEMBL12128199

COc1ccc(Nc2ccc3c4c(n(C)c3c2)CCC(N(C)C(=O)OC(C)(C)C)C4)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CXCR2 P25025 2/20 0.35
▸ ACHE P22303 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HTR6 P50406 6/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ BUB1 O43683 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
SCHEMBL21088212 0.92 HTR6 (0.34) PTGDR2HTR6
SCHEMBL12128127 0.90 PDE4B (0.35) APPALDH1A1GAACXCR2ACHE
SCHEMBL12128235 0.87 APP (0.37) APPPTGDR2HTR6
SCHEMBL12131843 0.87 PTGDR2 (0.36) ALDH1A1GAACXCR2PTGDR2SMN1; SMN2
SCHEMBL12127944 0.87 MAPT (0.35) APPALDH1A1GAACXCR2PTGDR2
SCHEMBL12131830 0.85 AKR1C3 (0.36) ALDH1A1GAACXCR2PTGDR2HTR6
SCHEMBL12128227 0.85 KEAP1 (0.36) ALDH1A1PTGDR2NPSR1SMN1; SMN2MEN1
SCHEMBL12131854 0.81 PTGDR2 (0.38) PTGDR2PDE4B
SCHEMBL21089058 0.81 PTGDR2 (0.38) PTGDR2HTR6
SCHEMBL12127658 0.81 HTR6 (0.41) PTGDR2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 — — US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 — — US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 — — US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 — — US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 — — US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 — — 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-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 APP 1/4885ALDH1A1 3432/4885GAA 90/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 APP 1/4885ALDH1A1 3432/4885GAA 90/4885

“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.

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