SCHEMBL609510

SCHEMBL609510

O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(c1cccc(OCc3ccccc3)n1)CC2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 16/20 0.49
EGLN1 Q9GZT9 2/20 0.40
CHRM4 P08173 1/20 0.40
GRM5 P41594 1/20 0.38
GRM3 Q14832 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
SCHEMBL611347 0.81 LIPE (0.55) LIPE
SCHEMBL12701929 0.77 LIPE (0.56) LIPE
SCHEMBL1589502 0.77 LIPE (0.56) LIPE
SCHEMBL1589501 0.77 LIPE (0.56) LIPE
SCHEMBL608499 0.77 LIPE (0.70) LIPEEGLN1CHRM4
SCHEMBL14217206 0.76 LIPE (0.70) LIPE
SCHEMBL744243 0.75 LIPE (0.66) LIPEEGLN1
SCHEMBL609591 0.74 LIPE (0.59) LIPE
SCHEMBL3747144 0.74 LIPE (0.54) LIPEGRM5
SCHEMBL5662 0.74 LIPE (0.70) 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 18 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
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 1/4885EGLN1 625/4885CHRM4 2711/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885EGLN1 625/4885CHRM4 2711/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885EGLN1 625/4885CHRM4 2711/4885

“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.