SCHEMBL753302

SCHEMBL753302

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.60
CYP2C9 P11712 3/20 0.60
KCNH2 Q12809 2/20 0.60
NR1I2 O75469 1/20 0.60
ABCB11 O95342 1/20 0.60
OPRK1 P41145 1/20 0.60
PRCP P42785 9/20 0.58
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 1/20 0.55
HPGDS O60760 3/20 0.54
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48

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
SCHEMBL11910995 1.00 CYP3A4 (0.60) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2706110 0.99 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19789918 0.98 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10145019 0.96 PRCP (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL725968 0.96 PRCP (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL203852 0.96 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL20401814 0.96 CYP3A4 (0.56) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19333992 0.95 CYP3A4 (0.55) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10176454 0.95 CYP3A4 (0.55) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10177193 0.95 HPGDS (0.57) 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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2022-05-31 US disclosed
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-11-05 US disclosed
EP-3321263-A2 COMPOUNDS FOR PREPARING HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2018-05-16 EP disclosed
EP-3042901-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB HOLDINGS IRELAND (CH) 2018-01-24 EP disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
WO-2016178250-A1 PROCESS FOR THE PREPARATION OF DACLATASVIR MYLAN LABORATORIES LIMITED (IN) 2016-11-10 WO disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof CYCS, COASY, CAT CYP3A4 110/4885CYP2C9 155/4885KCNH2 697/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF CYCS, COASY, CAT CYP3A4 89/4885CYP2C9 145/4885KCNH2 785/4885

“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.