SCHEMBL203803

SCHEMBL203803

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)Nc1ccc(Br)cc1N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.52
PREP P48147 4/20 0.47
HDAC1 Q13547 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GPR119 Q8TDV5 2/20 0.36
USP30 Q70CQ3 1/20 0.36
HSD11B1 P28845 1/20 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
SCHEMBL16004387 1.00 AAK1 (0.52) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL18993181 1.00 AAK1 (0.52) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL2707662 1.00 AAK1 (0.52) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL18993180 0.92 PREP (0.47) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL16541368 0.92 PREP (0.47) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL20462077 0.92 PREP (0.47) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL15406118 0.87 PREP (0.42) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL15406119 0.87 PREP (0.42) AAK1PREPHDAC1CHRM2CHRM1
SCHEMBL14948527 0.85 PREP (0.46) AAK1PREPCHRM2CHRM1CHRM3
SCHEMBL9957849 0.84 AAK1 (0.50) AAK1HDAC1

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 49 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
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 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-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-2855478-B1 LEDIPASVIR D-TARTRATE GILEAD PHARMASSET LLC (US) 2018-08-08 EP 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
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
WO-2012087596-A1 COMBINATIONS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2012-06-28 WO 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-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 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 (7 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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC AAK1 4110/4885PREP 942/4885HDAC1 1242/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885PREP 440/4885HDAC1 1234/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885PREP 440/4885HDAC1 1234/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885PREP 440/4885HDAC1 1234/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC AAK1 4110/4885PREP 942/4885HDAC1 1242/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885PREP 440/4885HDAC1 1234/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885PREP 440/4885HDAC1 1234/4885

“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.