SCHEMBL12910853

SCHEMBL12910853

[C-]#[N+]c1c(N(C)CC(=O)OC)nc(OCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 12/20 0.39
▸ PPARG P37231 9/20 0.39
▸ ADORA1 P30542 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ELAVL1 Q15717 1/20 0.32
▸ LMNA P02545 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
SCHEMBL382955 0.92 PPARA (0.42) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL12536119 0.85 ADORA1 (0.38) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL12535121 0.85 ADORA1 (0.41) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL12535500 0.83 ADORA1 (0.43) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL10195690 0.82 PPARA (0.42) PPARAPPARGMAPTKDM4EALDH1A1
SCHEMBL12535546 0.82 ADORA1 (0.37) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL12910844 0.81 ADORA1 (0.38) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL1933429 0.80 ADORA1 (0.43) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL12535550 0.78 ADORA1 (0.38) PPARAPPARGADORA1SLC6A3MAPT
SCHEMBL12535538 0.78 ADORA1 (0.48) PPARGADORA1SLC6A3MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 — — 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 (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-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO PPARA 51/4885PPARG 24/4885ADORA1 2110/4885

“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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