SCHEMBL15052345

SCHEMBL15052345

CC1(C)OB(c2ccc3c(c2)COc2c-3ccc3c2ccc2[nH]c([C@@]4(C(C)(C)C)CCCN4C(=O)O)nc23)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.36
HCRTR2 O43614 20/20 0.36

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
SCHEMBL15051714 0.87 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2193248 0.80 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL934131 0.80 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL6126614 0.77 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL14979634 0.75 PTGES (0.37) HCRTR1HCRTR2
SCHEMBL22361254 0.73 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL18813763 0.71 LIPG (0.35) HCRTR1HCRTR2
SCHEMBL18813762 0.71 LIPG (0.35) HCRTR1HCRTR2
SCHEMBL1908293 0.71 LIPG (0.35)
SCHEMBL1908290 0.71 LIPG (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682989-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-20 US disclosed
US-20160115175-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2016-04-28 US disclosed
US-20150141326-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-05-21 US disclosed
US-8921341-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-12-30 US disclosed
US-20140112885-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-04-24 US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 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 (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-20140112885-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885
US-20150141326-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885
US-20160115175-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885

“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.