SCHEMBL608169

SCHEMBL608169

CC(Oc1cc[c]cc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
LIPE Q05469 1/20 0.32
P2RX3 P56373 4/20 0.30
PTPN5 P54829 1/20 0.30

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
SCHEMBL2105143 0.79 MEN1 (0.33)
SCHEMBL18833426 0.78 KDM4E (0.39) PTPN5
SCHEMBL28060320 0.78 KDM4E (0.39) PTPN5
SCHEMBL28026085 0.77 RORC (0.30) RORC
SCHEMBL1119411 0.77
SCHEMBL17707975 0.77 ACHE (0.41) P2RX3PTPN5
SCHEMBL17134126 0.76 ALDH1A3 (0.30)
SCHEMBL11238 0.75 TDP1 (0.43)
SCHEMBL30361331 0.75 CYP3A4 (0.38) RORC
SCHEMBL9856281 0.75 ESR2 (0.45) RORCPTPN5

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 23 patents — showing the first 20. 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-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US claimed
US-8703807-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US claimed
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-27 US claimed
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 US claimed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US claimed
CN-103068826-B Nitrogen heterocyclic 霍夫曼-拉罗奇有限公司 2016-08-31 CN disclosed
EP-2688881-B1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8703807-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 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-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO 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 (6 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 RORC 374/4885LIPE 1/4885P2RX3 1899/4885
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS CYP51A1, HSD17B7, NR5A1 RORC 315/4885LIPE 4568/4885P2RX3 3472/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL RORC 1454/4885LIPE 10/4885P2RX3 1722/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC RORC 374/4885LIPE 1/4885P2RX3 1899/4885
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS TYMS, CDK11A, CDKN1A RORC 515/4885LIPE 4854/4885P2RX3 1898/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC RORC 374/4885LIPE 1/4885P2RX3 1899/4885

“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.