SCHEMBL10256208

SCHEMBL10256208

CC(C)(C)OC(=O)N1CCc2c(cccc2C(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ NR1H2 P55055 1/20 0.53
▸ UCHL1 P09936 1/20 0.52
▸ SCN9A Q15858 1/20 0.49
▸ ABHD6 Q9BV23 5/20 0.49
▸ DDB1 Q16531 1/20 0.48
▸ CRBN Q96SW2 1/20 0.48
▸ NAMPT P43490 4/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ADORA1 P30542 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29421744 0.87 ABHD6 (0.65) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL2119725 0.87 ABHD6 (0.65) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL30150268 0.85 ESR2 (0.59) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL1958196 0.85 ESR2 (0.59) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL11997414 0.85 ESR2 (0.55) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL16730890 0.84 ESR2 (0.54) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL29526229 0.84 NR1H2 (0.60) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL394214 0.84 NR1H2 (0.60) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL21326028 0.84 ESR2 (0.54) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL29586606 0.84 ESR2 (0.54) ESR2MAPK1NR1H2UCHL1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 — — US disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 — — US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 — — US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 — — US disclosed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 — — US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 — — US disclosed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 — — US disclosed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 — — US disclosed
US-20140343315-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2014-11-20 — — US disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 — — US disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 — — US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 — — US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 — — US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 — — US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 — — US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — 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 (14 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20140343315-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 ESR2 4002/4885MAPK1 2283/4885NR1H2 508/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ESR2 820/4885MAPK1 4329/4885NR1H2 110/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 761/4885MAPK1 4329/4885NR1H2 127/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ESR2 1431/4885MAPK1 4015/4885NR1H2 234/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ESR2 4002/4885MAPK1 2283/4885NR1H2 508/4885

“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.

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