SCHEMBL923730

SCHEMBL923730

CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2noc3ccccc23)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 16/20 0.43
CHRNA7 P36544 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
DPP4 P27487 1/20 0.36

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
SCHEMBL1572237 0.92 HIF1A (0.42) HIF1ACHRNA7KDM4EPKM
SCHEMBL496412 0.80 HCRTR1 (0.43) HIF1ACHRNA7KDM4EPKM
SCHEMBL2446757 0.80 HCRTR1 (0.43) HIF1ACHRNA7KDM4EPKM
SCHEMBL925561 0.76 HCRTR1 (0.50)
SCHEMBL924409 0.75 KMT2A (0.45) KDM4EPKM
SCHEMBL924082 0.75 HCRTR1 (0.42) HIF1ACHRNA7
SCHEMBL496419 0.74 HIF1A (0.38) HIF1ACHRNA7KDM4EPKM
SCHEMBL1572179 0.74 RAB9A (0.43) CHRNA7KDM4EPKM
SCHEMBL923764 0.73 HCRTR1 (0.49) HIF1A
SCHEMBL924556 0.73 HCRTR1 (0.52)

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 HIF1A 489/4885CHRNA7 152/4885KDM4E 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.