SCHEMBL12093095

SCHEMBL12093095

CN(C(=O)OCc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H](C2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CCR5 P51681 1/20 0.45
ALDH1A1 P00352 4/20 0.45
ENPP2 Q13822 1/20 0.43
EPHX2 P34913 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL12093040 1.00 SIGMAR1 (0.54) SIGMAR1CCR5ALDH1A1ENPP2EPHX2
SCHEMBL1058888 0.87 SIGMAR1 (0.60) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL19139368 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL30865762 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL25568169 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL25568168 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL2621386 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL129763 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL2621297 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2CHRM2
SCHEMBL25568175 0.84 SIGMAR1 (0.52) SIGMAR1CCR5ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 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-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 SIGMAR1 103/4885CCR5 1789/4885ALDH1A1 171/4885

“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.