SCHEMBL2708494

SCHEMBL2708494

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.40
PREP P48147 4/20 0.40
KCNK3 O14649 2/20 0.38
KCNK9 Q9NPC2 2/20 0.38
PRCP P42785 2/20 0.36
SSTR3 P32745 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
ABL1 P00519 1/20 0.33
CHEK2 O96017 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL206037 1.00 HPGDS (0.40) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL18463062 0.91 HPGDS (0.44) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL15405790 0.91 HPGDS (0.44) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL2708612 0.91 HPGDS (0.44) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL203272 0.91 HPGDS (0.44) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL12437623 0.91 HPGDS (0.44) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL15443667 0.88 HPGDS (0.38) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL15405683 0.88 HPGDS (0.38) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL15405684 0.88 HPGDS (0.38) HPGDSPREPKCNK3KCNK9PRCP
SCHEMBL18462760 0.88 HPGDS (0.47) HPGDSPREPPRCPSSTR3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.