SCHEMBL2706303

SCHEMBL2706303

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.90
CYP2C9 P11712 6/20 0.90
KCNH2 Q12809 3/20 0.90
NR1I2 O75469 2/20 0.90
ABCB11 O95342 1/20 0.90
OPRK1 P41145 1/20 0.90
CYP1A2 P05177 3/20 0.80
CYP2D6 P10635 2/20 0.79

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
SCHEMBL203300 1.00 CYP3A4 (0.90) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12098465 1.00 CYP3A4 (0.90) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL14708713 1.00 CYP3A4 (0.90) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL203451 0.99 CYP3A4 (0.91) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2707660 0.99 CYP3A4 (0.91) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18020333 0.97 CYP3A4 (0.85) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL205850 0.95 CYP3A4 (0.98) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL17066717 0.95 CYP3A4 (0.98) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2756813 0.95 CYP3A4 (0.98) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2708683 0.95 CYP3A4 (0.98) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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 95 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-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-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 WO disclosed
WO-2011154871-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-12-15 WO disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (5 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 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 4228/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CYP3A4 177/4885CYP2C9 519/4885KCNH2 4324/4885
US-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS CYP3A4 237/4885CYP2C9 322/4885KCNH2 4035/4885
US-20110152237-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 CYP3A4 52/4885CYP2C9 40/4885KCNH2 2695/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 4228/4885

“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.