SCHEMBL496608

SCHEMBL496608

CC1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TACR1 P25103 6/20 0.34
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HSD11B1 P28845 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
SCHEMBL26999246 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL20214954 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL1340048 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL13871086 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL2928958 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL24909276 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL21530266 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL21554826 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL21530267 0.91 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3TACR1
SCHEMBL496604 0.89 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD11B1

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
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

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 237/4885CHRM2 270/4885CHRM1 208/4885

“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.