SCHEMBL1914633

SCHEMBL1914633

CC1CC(C=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19557223 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL116141 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL12660832 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL116548 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL1914221 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL26791171 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL10144798 0.88 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL20005982 0.88 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL8004785 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL15317038 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 EP disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 US disclosed
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
US-20200071337-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 US disclosed
US-20190337960-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-11-07 US disclosed
US-20190276468-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-09-12 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2012-08-16 US disclosed
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-19 US disclosed
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-05 US disclosed
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-06-28 US disclosed
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-24 US disclosed
WO-2011079327-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 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 (16 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-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NR1H2 2294/4885CHRM2 2056/4885CHRM1 1508/4885
US-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 NR1H2 2935/4885CHRM2 4866/4885CHRM1 4813/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NR1H2 2337/4885CHRM2 1977/4885CHRM1 1255/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 NR1H2 2557/4885CHRM2 4881/4885CHRM1 4856/4885
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NR1H2 2192/4885CHRM2 1970/4885CHRM1 1128/4885
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NR1H2 2420/4885CHRM2 1954/4885CHRM1 1214/4885
US-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 NR1H2 2935/4885CHRM2 4866/4885CHRM1 4813/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 NR1H2 2935/4885CHRM2 4866/4885CHRM1 4813/4885
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NR1H2 2192/4885CHRM2 1970/4885CHRM1 1128/4885
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NR1H2 2510/4885CHRM2 2413/4885CHRM1 1496/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1H2 2557/4885CHRM2 4881/4885CHRM1 4856/4885
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, QARS1, NQO2 NR1H2 2337/4885CHRM2 1921/4885CHRM1 962/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 NR1H2 2935/4885CHRM2 4866/4885CHRM1 4813/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 NR1H2 2935/4885CHRM2 4866/4885CHRM1 4813/4885
US-20190337960-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 NR1H2 2935/4885CHRM2 4866/4885CHRM1 4813/4885
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ATP6V1B1, GLS, NRDC NR1H2 1379/4885CHRM2 4552/4885CHRM1 4543/4885

“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.