SCHEMBL203272

SCHEMBL203272

CC(C)(C)OC(=O)N1C2CCC(C2)C1c1ncc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.44
PREP P48147 3/20 0.41
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
SSTR3 P32745 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRCP P42785 3/20 0.36
GPR119 Q8TDV5 2/20 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
SCHEMBL12437623 1.00 HPGDS (0.44) HPGDSPREPKCNK3KCNK9SSTR3
SCHEMBL2708612 1.00 HPGDS (0.44) HPGDSPREPKCNK3KCNK9SSTR3
SCHEMBL15405790 1.00 HPGDS (0.44) HPGDSPREPKCNK3KCNK9SSTR3
SCHEMBL18463062 1.00 HPGDS (0.44) HPGDSPREPKCNK3KCNK9SSTR3
SCHEMBL202934 0.95 HPGDS (0.47) HPGDSPREPSSTR3CHRM2CHRM1
SCHEMBL18462760 0.95 HPGDS (0.47) HPGDSPREPSSTR3CHRM2CHRM1
SCHEMBL12999459 0.95 HPGDS (0.47) HPGDSPREPSSTR3CHRM2CHRM1
SCHEMBL12328086 0.94 HPGDS (0.45) HPGDSPREPKCNK3KCNK9SSTR3
SCHEMBL206037 0.91 HPGDS (0.40) HPGDSPREPKCNK3KCNK9SSTR3
SCHEMBL2708494 0.91 HPGDS (0.40) HPGDSPREPKCNK3KCNK9SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (6 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PREP 440/4885KCNK3 4326/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PREP 440/4885KCNK3 4326/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PREP 440/4885KCNK3 4326/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PREP 440/4885KCNK3 4326/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PREP 440/4885KCNK3 4326/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PREP 440/4885KCNK3 4326/4885

“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.