SCHEMBL608386

SCHEMBL608386

O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(c1cc(C(F)(F)F)ccc1F)CC2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 13/20 0.53
FFAR4 Q5NUL3 4/20 0.43
EBP Q15125 1/20 0.43
METAP2 P50579 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL610122 0.92 LIPE (0.53) LIPEEBPMETAP2
SCHEMBL608525 0.85 LIPE (0.60) LIPEMETAP2
SCHEMBL609538 0.79 LIPE (0.58) LIPEMETAP2
SCHEMBL609375 0.78 LIPE (0.72) LIPEMETAP2
SCHEMBL609591 0.78 LIPE (0.59) LIPEFFAR4
SCHEMBL610248 0.78 LIPE (0.59) LIPEFFAR4
SCHEMBL3739766 0.77 LIPE (0.75) LIPE
SCHEMBL608591 0.77 LIPE (0.52) LIPEMETAP2
SCHEMBL610111 0.76 LIPE (0.57) LIPEFFAR4METAP2
SCHEMBL10163 0.76 LIPE (0.64) LIPEMETAP2

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 17 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
EP-2603510-A1 NEW AZACYCLIC COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
WO-2012020035-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO 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
EP-2603510-A1 NEW AZACYCLIC COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020035-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO 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 1/4885FFAR4 90/4885EBP 49/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885FFAR4 90/4885EBP 49/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885FFAR4 90/4885EBP 49/4885

“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.