SCHEMBL496478

SCHEMBL496478

CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1CN

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.38
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
PREP P48147 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H3 Q13133 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL8113833 0.89 NR1H2 (0.46) NR1H2HSD17B10HSD11B1ALDH1A1MEN1
SCHEMBL497157 0.89 NR1H2 (0.46) NR1H2HSD17B10HSD11B1ALDH1A1MEN1
SCHEMBL15184287 0.89 NR1H2 (0.46) NR1H2HSD17B10HSD11B1ALDH1A1MEN1
SCHEMBL4074539 0.84 NR1H2 (0.43) NR1H2HSD17B10HSD11B1CHRM2CHRM1
SCHEMBL2929834 0.84 NR1H2 (0.43) NR1H2HSD17B10HSD11B1CHRM2CHRM1
SCHEMBL2926494 0.84 NR1H2 (0.43) NR1H2HSD17B10HSD11B1CHRM2CHRM1
SCHEMBL3415478 0.84 NR1H2 (0.43) NR1H2HSD17B10HSD11B1CHRM2CHRM1
SCHEMBL1339459 0.84 NR1H2 (0.43) NR1H2HSD17B10HSD11B1CHRM2CHRM1
SCHEMBL3415474 0.84 NR1H2 (0.43) NR1H2HSD17B10HSD11B1CHRM2CHRM1
SCHEMBL4302765 0.80 CHRM2 (0.41) NR1H2HSD17B10CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 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-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR NR1H2 237/4885HSD17B10 2011/4885HSD11B1 869/4885

“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.