SCHEMBL8751564

SCHEMBL8751564

COC(=O)N[C@H](C(=O)N1CCCC1c1ncc(Br)[nH]1)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.75
▸ CYP2C9 P11712 5/20 0.75
▸ NR1I2 O75469 2/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ OPRK1 P41145 1/20 0.75
▸ KCNH2 Q12809 1/20 0.75
▸ CYP1A2 P05177 3/20 0.67
▸ CYP2D6 P10635 2/20 0.66

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
SCHEMBL903703 1.00 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL3265289 1.00 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL8749484 1.00 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL14979709 0.92 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17615404 0.92 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL23004536 0.91 CYP3A4 (0.64) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL6126244 0.91 CYP3A4 (0.64) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL9941180 0.91 CYP3A4 (0.62) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL9912032 0.91 CYP3A4 (0.87) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL6121467 0.91 CYP3A4 (0.62) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — EP disclosed
EP-3153515-B1 COMPOUNDS FOR INHIBITING HEPATITIS C VIRUS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AB PHARMA LTD (CN) 2020-08-12 — — EP disclosed
US-9868745-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-01-16 — — US disclosed
US-9820972-B2 Antiviral compounds highly effective as HCV-NS5A inhibitor AB Pharma Ltd. (CN) 2017-11-21 — — US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 — — US disclosed
US-9682989-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-20 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170145027-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-05-25 — — US disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 — — EP disclosed
US-20150299213-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-10-22 — — US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 — — US disclosed
US-9051340-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-06-09 — — US disclosed
US-20150141326-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-05-21 — — US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 — — US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 — — US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 — — US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 — — US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-20170145027-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20150299213-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885NR1I2 2411/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885NR1I2 2411/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885NR1I2 2411/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20150141326-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 CYP3A4 809/4885CYP2C9 1423/4885NR1I2 321/4885

“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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