SCHEMBL1932799

SCHEMBL1932799

CC1(C)OC[C@H](COc2ccc(-c3c(C#N)c(N)nc(SCc4coc(-c5ccc(Cl)cc5)n4)c3C#N)cc2)O1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 18/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ ADORA2B P29275 5/20 0.48
▸ ADORA2A P29274 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ HTR1B P28222 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL381793 1.00 ADORA1 (0.51) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12036501 1.00 ADORA1 (0.51) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12553231 0.94 ADORA1 (0.51) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12553225 0.93 ADORA1 (0.52) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12020303 0.92 ADORA1 (0.44) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12020312 0.92 ADORA1 (0.44) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12020322 0.92 ADORA1 (0.44) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12553090 0.92 ADORA1 (0.46) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12552918 0.92 ADORA1 (0.47) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12552914 0.92 ADORA1 (0.47) ADORA1SLC6A3ADORA2BADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
EP-2379540-B1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER IP GMBH (DE) 2014-10-22 — — EP disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 — — US disclosed
US-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 — — US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 — — US disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 — — EP disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 — — US disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
WO-2010072314-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-01 — — WO disclosed
WO-2010072315-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-01 — — WO disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 — — 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-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP ADORA1 1562/4885SLC6A3 671/4885ADORA2B 1900/4885
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF DNPEP, AADAT, DAO ADORA1 741/4885SLC6A3 476/4885ADORA2B 942/4885
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ADORA1 3589/4885SLC6A3 2005/4885ADORA2B 3694/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885SLC6A3 2093/4885ADORA2B 3238/4885

“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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