SCHEMBL14979709

SCHEMBL14979709

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.65
▸ CYP2C9 P11712 5/20 0.65
▸ NR1I2 O75469 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ OPRK1 P41145 1/20 0.65
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2D6 P10635 2/20 0.57

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
SCHEMBL17615404 1.00 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL15390755 0.93 CYP3A4 (0.56) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL6122427 0.93 CYP3A4 (0.56) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL903703 0.92 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL8749484 0.92 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL3265289 0.92 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL8751564 0.92 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL3266518 0.90 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL10299120 0.90 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL3266867 0.90 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 — — US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
US-20190276468-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-09-12 — — US disclosed
US-20180186806-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2018-07-05 — — US disclosed
US-9868745-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-01-16 — — US disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 — — US disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 — — US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 — — US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 — — US disclosed
EP-3239153-A1 9-(1H-IMIDAZOL-5-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HCV NS5A Gilead Pharmasset LLC (US) 2017-11-01 — — EP disclosed
US-20130309196-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2013-11-21 — — US disclosed
US-8575135-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-8575135-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20130177530-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-07-11 — — US disclosed
US-20130177530-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-07-11 — — US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — US disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 — — 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 (9 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-20130177530-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20130309196-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20180186806-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885

“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.

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