SCHEMBL339638

SCHEMBL339638

CC(C)COc1c(C#N)c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccc(N4CCOCC4)nc3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
GRM2 Q14416 1/20 0.38
PDE10A Q9Y233 3/20 0.37
RET P07949 5/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL338879 0.90 KDM4E (0.37) CNR2GRM2PIK3CAMTORKDM4E
SCHEMBL339822 0.87 CNR2 (0.45) CNR2PDE10AALDH1A1
SCHEMBL338923 0.84 CYP11B2 (0.34) CNR2KDM4E
SCHEMBL338679 0.79 KDM4E (0.36) CNR2KDM4E
SCHEMBL339891 0.78 DPP4 (0.39) CNR2KDM4EALDH1A1
SCHEMBL339662 0.77 KDM4E (0.35) CNR2KDM4EALDH1A1
SCHEMBL339388 0.72 DPP4 (0.43) CNR2KDM4E
SCHEMBL367649 0.72 CNR2 (0.53) CNR2PDE10AALDH1A1
SCHEMBL338998 0.71 PIK3CA (0.41) CNR2GRM2PIK3CAMTORKDM4E
SCHEMBL338698 0.70 PIK3CA (0.46) CNR2GRM2PIK3CAMTORKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC CNR2 2213/4885GRM2 2465/4885PDE10A 1219/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CNR2 2213/4885GRM2 2465/4885PDE10A 1219/4885

“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.