SCHEMBL924740

SCHEMBL924740

CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cccc3c2CCO3)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.38
HTR4 Q13639 13/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
CACNA1H O95180 1/20 0.35
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL1571705 0.92 MTNR1B (0.39) MTNR1BHTR4KDM4EPKMUTS2R
SCHEMBL1571823 0.82 HTR4 (0.47) HTR4
SCHEMBL1340259 0.77 MTNR1B (0.39) MTNR1BHTR4KDM4EPKMUTS2R
SCHEMBL924854 0.75 HCRTR1 (0.49)
SCHEMBL924954 0.74 HCRTR1 (0.57)
SCHEMBL923584 0.74 HCRTR1 (0.56)
SCHEMBL924754 0.74 HCRTR1 (0.48)
SCHEMBL924254 0.74 HCRTR1 (0.41)
SCHEMBL923489 0.73 HCRTR1 (0.48)
SCHEMBL924706 0.73 HCRTR1 (0.48)

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-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 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-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R MTNR1B 74/4885HTR4 279/4885KDM4E 702/4885

“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.