SCHEMBL7899357

SCHEMBL7899357

C=CCN1C(=O)C2CCC1([C@H](NC(=O)OC(C)(C)C)c1ccccc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SCN9A Q15858 8/20 0.40
SLC6A9 P48067 6/20 0.38
SLC6A5 Q9Y345 1/20 0.38
OXTR P30559 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3711687 0.86 SLC6A9 (0.43) SLC6A9SLC6A5OXTR
SCHEMBL13949277 0.82 SLC6A9 (0.45) MAPTCTSSCTSKSLC6A9SLC6A5
SCHEMBL7894548 0.79 OPRD1 (0.32) SLC6A9SLC6A5OXTR
SCHEMBL3711967 0.79 OPRD1 (0.32) SLC6A9SLC6A5OXTR
SCHEMBL7899345 0.76 SLC6A9 (0.64) SLC6A9SLC6A5
SCHEMBL7896421 0.76 SLC6A9 (0.64) SLC6A9SLC6A5
SCHEMBL7894745 0.76 SLC6A9 (0.64) SLC6A9SLC6A5
SCHEMBL4243958 0.76 OXTR (0.34) OXTR
SCHEMBL2605332 0.75 SLC6A9 (0.62) CTSSCTSKSLC6A9SLC6A5
SCHEMBL2605333 0.75 SLC6A9 (0.62) CTSSCTSKSLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed
US-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 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-20090030033-A1 Novel Compounds 894 AZI2, TPMT, AMPD2 MAPT 1881/4885CTSS 1846/4885CTSK 1676/4885

“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.