SCHEMBL610086

SCHEMBL610086

Cn1cccc(N2CCC3(CC2)CCN(c2ccc(OC(F)(F)F)cc2)C3=O)c1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 19/20 0.56
P2RY1 P47900 1/20 0.38

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
SCHEMBL609101 0.88 LIPE (0.58) LIPE
SCHEMBL610836 0.88 LIPE (0.54) LIPE
SCHEMBL608525 0.84 LIPE (0.60) LIPE
SCHEMBL609375 0.84 LIPE (0.72) LIPE
SCHEMBL608867 0.83 LIPE (0.57) LIPE
SCHEMBL610248 0.83 LIPE (0.59) LIPE
SCHEMBL609659 0.80 LIPE (0.52) LIPE
SCHEMBL610020 0.79 LIPE (0.54) LIPEP2RY1
SCHEMBL609591 0.79 LIPE (0.59) LIPE
SCHEMBL609538 0.78 LIPE (0.58) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US claimed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US claimed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US claimed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-20140005400-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-01-02 US disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 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 (3 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-20140005400-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885P2RY1 821/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885P2RY1 821/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885P2RY1 821/4885

“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.