SCHEMBL1607158

SCHEMBL1607158

CCOC(=O)C1(CNc2cncc(-c3cc4ccccc4n3C)c2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CYP11B2 P19099 1/20 0.43
APP P05067 2/20 0.40
FASN P49327 1/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1606227 0.88 CYP11B2 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL27957067 0.87 CHRNB1 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1606092 0.86 CYP11B2 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL27830515 0.82 CHRNB1 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL27830521 0.81 CHRNB1 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1606170 0.75 CYP2C9 (0.48) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3676197 0.74 APP (0.56) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL12211881 0.73 LMNA (0.37) KMT2AKDM4EGAAOPRM1MEN1
SCHEMBL27957070 0.72 CHRNB1 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1606665 0.71 CYP11B2 (0.59) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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 21 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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN 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
CN-102076665-B Organic compounds NOVARTIS AG 2014-09-03 CN 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
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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-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

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 CHRNB1 2629/4885CHRNB2 3544/4885CHRNB4 3668/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CHRNB1 2629/4885CHRNB2 3544/4885CHRNB4 3668/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CHRNB1 3239/4885CHRNB2 3915/4885CHRNB4 3969/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CHRNB1 3239/4885CHRNB2 3915/4885CHRNB4 3969/4885

“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.