SCHEMBL2449665

SCHEMBL2449665

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2)[nH]1)C(C)C

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.81
CYP2C9 P11712 4/20 0.81
NR1I2 O75469 2/20 0.81
ABCB11 O95342 1/20 0.81
OPRK1 P41145 1/20 0.81
KCNH2 Q12809 1/20 0.81
CYP1A2 P05177 2/20 0.73
CYP2D6 P10635 1/20 0.72

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
SCHEMBL16474245 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL14841799 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10177537 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10177898 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10177276 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15462359 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2706507 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL13192601 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15462358 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL204376 1.00 CYP3A4 (0.81) 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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US 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
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US 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
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US 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
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US 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 (8 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP3A4 56/4885CYP2C9 324/4885NR1I2 93/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885NR1I2 1341/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP3A4 56/4885CYP2C9 324/4885NR1I2 93/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP3A4 40/4885CYP2C9 177/4885NR1I2 91/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885NR1I2 1341/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP3A4 40/4885CYP2C9 177/4885NR1I2 91/4885

“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.