SCHEMBL204052

SCHEMBL204052

CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)COc2cc(Br)ccc2-3)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.44
NR1I2 O75469 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
ABCB11 O95342 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGDS O60760 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL18462788 1.00 PRCP (0.44) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL2709625 1.00 PRCP (0.44) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL206403 0.94 PRCP (0.47) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL2707855 0.94 PRCP (0.47) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL17644214 0.91 PRCP (0.46) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL205295 0.89 PRCP (0.47) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL2706649 0.89 PRCP (0.47) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL16378620 0.89 PRCP (0.51) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL6126346 0.89 PRCP (0.44) PRCPNR1I2CYP3A4CYP2C9ABCB11
SCHEMBL6126345 0.89 PRCP (0.44) PRCPNR1I2CYP3A4CYP2C9ABCB11

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 22 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
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
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US 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 (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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885

“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.