SCHEMBL12595652

SCHEMBL12595652

CN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.45
OPRK1 P41145 2/20 0.45
NR1I2 O75469 2/20 0.45
MLNR O43193 1/20 0.45
SLCO2B1 O94956 1/20 0.45
ABCB11 O95342 1/20 0.45
ABCB1 P08183 1/20 0.45
CCKAR P32238 1/20 0.45
GHSR Q92847 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
DPP4 P27487 1/20 0.41
JAK1 P23458 1/20 0.40
CSNK1E P49674 1/20 0.39
KCNH2 Q12809 3/20 0.39
GPR88 Q9GZN0 1/20 0.38
AGER Q15109 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3393562 0.87 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL8152590 0.87 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL12595685 0.87 UGT1A1 (0.45) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL2177873 0.87 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL1300940 0.86 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL6156798 0.86 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL30018372 0.86 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL496176 0.84 CSNK1E (0.51) OPRK1CSNK1EKCNH2AGERMEN1
SCHEMBL8228791 0.83 JAK1 (0.37) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL496241 0.83 CSNK1E (0.50) OPRK1CSNK1EKCNH2ALDH1A1MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071270-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20180021436-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-20150202191-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2015-07-23 US disclosed
US-20130266648-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2013-10-10 US disclosed
US-8513428-B2 Process for preparing atazanavir bisulfate and novel forms BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20110124689-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US disclosed
US-7838678-B2 Process for preparing atazanavir bisulfate and novel forms BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-23 US disclosed
US-7829720-B2 Process for preparing atazanavir bisulfate and novel forms BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20100183715-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR Bristo-Meyers Squibb Company 2010-07-22 US disclosed
US-20100178339-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY 2010-07-15 US disclosed
US-20090203630-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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-20100183715-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885OPRK1 1962/4885NR1I2 3899/4885
US-20180071270-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885OPRK1 1962/4885NR1I2 3899/4885
US-20130266648-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885OPRK1 1962/4885NR1I2 3899/4885
US-20100178339-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885OPRK1 1962/4885NR1I2 3899/4885
US-20090203630-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS GTF3C3, PRSS3, GTF3C4 UGT1A1 1255/4885OPRK1 2196/4885NR1I2 3857/4885
US-20110124689-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS GTF3C3, PRSS3, GTF3C4 UGT1A1 1255/4885OPRK1 2196/4885NR1I2 3857/4885
US-20180021436-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT ACIN1, SAMHD1, ARSA UGT1A1 2092/4885OPRK1 3056/4885NR1I2 3993/4885
US-20150202191-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885OPRK1 1962/4885NR1I2 3899/4885

“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.