SCHEMBL608499

SCHEMBL608499

O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 11/20 0.70
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
EGLN1 Q9GZT9 4/20 0.52
P2RY1 P47900 1/20 0.52
CHRM4 P08173 2/20 0.51
CHRM2 P08172 1/20 0.48

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
SCHEMBL336481 0.85 LIPE (0.57) LIPEBCHEACHEBACE1
SCHEMBL5420730 0.84 EGLN1 (0.58) EGLN1
SCHEMBL5663 0.84 LIPE (0.70) LIPE
SCHEMBL5662 0.84 LIPE (0.70) LIPE
SCHEMBL1589109 0.84 LIPE (0.70) LIPE
SCHEMBL12701929 0.83 LIPE (0.56) LIPE
SCHEMBL1589501 0.83 LIPE (0.56) LIPE
SCHEMBL1589502 0.83 LIPE (0.56) LIPE
SCHEMBL350111 0.82 LIPE (1.00) LIPEBCHEACHEBACE1CHRM4
SCHEMBL350110 0.82 LIPE (1.00) LIPEBCHEACHEBACE1CHRM4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP claimed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US claimed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US claimed
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP 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-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
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US 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
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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 (5 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-20110130417-A1 NEW AZACYCLIC DERIVATIVES AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A1 LIPE 4817/4885BCHE 3154/4885ACHE 1965/4885
US-20140005400-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885BCHE 405/4885ACHE 575/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL LIPE 10/4885BCHE 1450/4885ACHE 1892/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885BCHE 405/4885ACHE 575/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885BCHE 405/4885ACHE 575/4885

“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.