SCHEMBL204659

SCHEMBL204659

CC(C)(C)OC(=O)N1CCCC1c1ncc(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.48
KLK7 P49862 1/20 0.46
PRMT5 O14744 2/20 0.45
PARP1 P09874 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.43
GRIN2B Q13224 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL2708081 1.00 HPGDS (0.48) HPGDSKLK7PRMT5PARP1GPR119
SCHEMBL28124148 0.89 TMEM97 (0.47) KLK7PRMT5PARP1L3MBTL1
SCHEMBL12302158 0.84 PRCP (0.48) HPGDSKLK7
SCHEMBL10076571 0.82 PRCP (0.59) HPGDS
SCHEMBL9977252 0.82 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL12302210 0.82 PRCP (0.51) HPGDSPARP1
SCHEMBL21163741 0.81 HPGDS (0.45) HPGDSNPC1THRBL3MBTL1
SCHEMBL12302160 0.80 KLK7 (0.43) HPGDSKLK7L3MBTL1
SCHEMBL12302159 0.79 HPGDS (0.41) HPGDSNPC1THRBL3MBTL1
SCHEMBL12302207 0.79 PRCP (0.50) HPGDSPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
CN-109020961-A Antiviral compound 吉利德制药有限责任公司 2018-12-18 CN 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-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
CN-104211689-B Antiviral compounds 吉利德制药有限责任公司 2017-01-18 CN disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
CN-103977406-B Antiviral compound 吉利德制药有限责任公司 2016-10-19 CN disclosed
CN-104016971-B Antiviral compound PHARMASSET INC. (US) 2016-05-25 CN disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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
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-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 2361/4885KLK7 3442/4885PRMT5 2658/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885KLK7 3442/4885PRMT5 2658/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885KLK7 3442/4885PRMT5 2658/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885KLK7 3442/4885PRMT5 2658/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885KLK7 3442/4885PRMT5 2658/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885KLK7 3442/4885PRMT5 2658/4885

“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.