SCHEMBL2605337

SCHEMBL2605337

CC(N[S+]([O-])C(C)(C)C)C12CCC(CC1)N2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX1 P07099 1/20 0.32
CCR2 P41597 3/20 0.31
PREP P48147 2/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2605300 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3EPHX1CCR2
SCHEMBL2125188 0.80 SLC6A9 (0.39) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL2126423 0.80 SLC6A9 (0.39) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL2126165 0.80 SLC6A9 (0.39) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL2605336 0.80 CHRM2 (0.36) CHRM2CHRM1CHRM3EPHX1CCR2
SCHEMBL2605306 0.80 CHRM2 (0.36) CHRM2CHRM1CHRM3EPHX1CCR2
SCHEMBL2124924 0.78 SLC6A9 (0.37)
SCHEMBL23264965 0.77 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1CCR2
SCHEMBL31329480 0.77 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1CCR2
SCHEMBL30200426 0.77 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1CCR2

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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF SLC1A2, B4GALT1, SLC6A1 CHRM2 2988/4885CHRM1 1791/4885CHRM3 3272/4885

“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.