SCHEMBL350110

SCHEMBL350110

O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(Cc1ccccc1)CC2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 13/20 1.00
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
CHRM4 P08173 6/20 0.49

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
SCHEMBL350111 1.00 LIPE (1.00) LIPEBCHEACHEBACE1CHRM4
SCHEMBL347795 0.86 LIPE (0.75) LIPE
SCHEMBL349222 0.86 LIPE (0.75) LIPE
SCHEMBL349221 0.86 LIPE (0.75) LIPE
SCHEMBL608499 0.82 LIPE (0.70) LIPEBCHEACHEBACE1CHRM4
SCHEMBL349602 0.77 LIPE (1.00) LIPE
SCHEMBL350200 0.76 LIPE (1.00) LIPE
SCHEMBL350088 0.76 LIPE (1.00) LIPE
SCHEMBL349787 0.75 LIPE (1.00) LIPE
SCHEMBL349786 0.75 LIPE (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US claimed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2593454-A1 NEW AZACYCLIC COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2012007367-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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-20120015970-A1 NEW AZACYCLIC COMPOUNDS AZI2, CDKN1A, TOP2B LIPE 4875/4885BCHE 3676/4885ACHE 2984/4885

“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.