SCHEMBL903703

SCHEMBL903703

COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(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
SCHEMBL3265289 1.00 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL8751564 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 19 patents. 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-3431477-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2019-01-23 — — EP disclosed
EP-2907816-B1 Condensed imidazolylimidazoles as antiviral compounds GILEAD PHARMASSET LLC (US) 2018-06-13 — — EP disclosed
US-9820972-B2 Antiviral compounds highly effective as HCV-NS5A inhibitor AB Pharma Ltd. (CN) 2017-11-21 — — 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US disclosed
WO-2017112531-A1 SILANE-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — WO disclosed
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-09-08 — — US disclosed
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-09-08 — — US disclosed
US-9221833-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-12-29 — — US disclosed
US-9221833-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-12-29 — — US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 — — US disclosed
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-11-26 — — US disclosed
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-11-26 — — US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 — — US disclosed
US-8921341-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-12-30 — — US disclosed
US-20140112885-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-04-24 — — US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 — — US disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 — — 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, TPMT, RPL35 CYP3A4 67/4885CYP2C9 25/4885NR1I2 340/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CYP3A4 177/4885CYP2C9 519/4885NR1I2 515/4885
US-20140112885-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP3A4 2443/4885CYP2C9 3743/4885NR1I2 3982/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, HCCS, CYP3A43 CYP3A4 40/4885CYP2C9 32/4885NR1I2 83/4885

“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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