SCHEMBL1606170

SCHEMBL1606170

CCOC(=O)c1cncc(-c2cc3ccccc3n2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNB3 Q05901 1/20 0.46
KMT2A Q03164 2/20 0.46
CYP11B2 P19099 1/20 0.46
NOD2 Q9HC29 3/20 0.44
NOD1 Q9Y239 3/20 0.44
MEN1 O00255 1/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL1605888 0.83 KMT2A (0.56) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1606155 0.82 CYP11B2 (0.54) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1605878 0.77 KMT2A (0.55) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL5372083 0.77 CYP2C9 (0.65) CYP2C9CYP2C19KMT2AMEN1NPC1
SCHEMBL27957067 0.75 CHRNB1 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1607158 0.75 CHRNB1 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1605248 0.74 KMT2A (0.58) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1605961 0.74 CYP11B2 (0.59) CYP2C9CYP2C19CYP11B2GAAKDM4E
SCHEMBL30385199 0.74 CYP11B2 (0.59) CYP2C9CYP2C19CYP11B2GAAKDM4E
SCHEMBL1092502 0.73 KDM4E (0.62) KMT2ANOD2NOD1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP2C9 15/4885CYP2C19 12/4885CHRNB1 2629/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP2C9 15/4885CYP2C19 12/4885CHRNB1 2629/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP2C9 14/4885CYP2C19 10/4885CHRNB1 3239/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP2C9 14/4885CYP2C19 10/4885CHRNB1 3239/4885

“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.