SCHEMBL3250347

SCHEMBL3250347

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

nearest known ligand 0.93

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.93
CYP2C9 P11712 6/20 0.93
KCNH2 Q12809 3/20 0.93
NR1I2 O75469 2/20 0.93
ABCB11 O95342 1/20 0.93
OPRK1 P41145 1/20 0.93
CYP1A2 P05177 3/20 0.82
CYP2D6 P10635 2/20 0.81
PRCP P42785 1/20 0.51

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
SCHEMBL3343543 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3341750 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3348385 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3250371 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3350695 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3343527 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3348348 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3341730 1.00 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
Hydrochloric Acid SCHEMBL3298359 0.99 CYP3A4 (0.91) CYP3A4CYP2C9KCNH2NR1I2ABCB11
Hydrochloric Acid SCHEMBL3298333 0.99 CYP3A4 (0.91) 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321263-A2 COMPOUNDS FOR PREPARING HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2018-05-16 EP claimed
EP-3042901-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB HOLDINGS IRELAND (CH) 2018-01-24 EP claimed
EP-3042901-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2016-07-13 EP claimed
EP-2784075-B1 Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-03-23 EP claimed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US claimed
EP-2784075-A1 Hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2014-10-01 EP claimed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP claimed
US-20140050695-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-20 US claimed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US claimed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US claimed
US-20230235290-A1 RECOMBINANT CARDIOMYOCYTES AND CARDIOMYOCYTE CELL LINES EXPRESSING HERG UNIV ALBERTA (CA) 2023-07-27 US disclosed
US-11591570-B2 Recombinant cardiomyocytes and cardiomyocyte cell lines expressing hERG THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-02-28 US disclosed
US-20200181577-A1 RECOMBINANT CARDIOMYOCYTES AND CARDIOMYOCYTE CELL LINES EXPRESSING HERG THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-06-11 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090041716-A1 CRYSTALLINE FORM OF METHYL ((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-4-BIPHENYLYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)CARBAMATE DIHYDROCHLORIDE SALT BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
WO-2009020828-A1 CRYSTALLINE FORM OF METHYL ((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-4-BIPHENYLYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)CARBAMATE DIHYDROCHLORIDE SALT BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-12 WO disclosed
WO-2009020825-A1 PROCESS FOR SYNTHESIZING COMPOUNDS USEFUL FOR TREATING HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-12 WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (7 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-20090041716-A1 CRYSTALLINE FORM OF METHYL ((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-4-BIPHENYLYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)CARBAMATE DIHYDROCHLORIDE SALT CPS1, PYGL, HCCS CYP3A4 1273/4885CYP2C9 1951/4885KCNH2 2110/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885
US-20230235290-A1 RECOMBINANT CARDIOMYOCYTES AND CARDIOMYOCYTE CELL LINES EXPRESSING HERG TNNI3, MYLK2, TNNT2 CYP3A4 3138/4885CYP2C9 1927/4885KCNH2 10/4885
US-20200181577-A1 RECOMBINANT CARDIOMYOCYTES AND CARDIOMYOCYTE CELL LINES EXPRESSING HERG TNNI3, MYLK2, TNNT2 CYP3A4 3138/4885CYP2C9 1927/4885KCNH2 10/4885
US-11591570-B2 Recombinant cardiomyocytes and cardiomyocyte cell lines expressing hERG KCNJ2, KCNH2, KCNE1 CYP3A4 1304/4885CYP2C9 768/4885KCNH2 2/4885
US-20140050695-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885KCNH2 4523/4885

“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.