SCHEMBL2600702

SCHEMBL2600702

C[C@@H](Cc1ccccc1)[C@@H]1CO1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
TAAR1 Q96RJ0 4/20 0.47
SLC6A2 P23975 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
SLC18A2 Q05940 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41

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
SCHEMBL12103354 1.00 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL2600693 1.00 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL12621036 1.00 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL13534760 1.00 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL13537546 1.00 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL6840473 1.00 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
Dimethylamine SCHEMBL29014940 0.94 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL29014928 0.85 AGXT (0.40) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL19320786 0.84 LTA4H (0.50) SIGMAR1SLC6A2MAOASLC6A3MEN1
SCHEMBL8613025 0.82 HTR6 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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 25 patents — showing the first 20. 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-20150320731-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150202191-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2015-07-23 US disclosed
US-20150080399-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED pH EFFECT BRISTOL MYERS SQUIBB CO (US) 2015-03-19 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-20130203759-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED pH EFFECT BRISTOL-MYERS SQUIBB COMPANY 2013-08-08 US disclosed
US-20130116457-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES AEROJET FINE CHEMICALS LLC (US) 2013-05-09 US disclosed
US-20130096317-A1 REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS GEORGIA TECH RESEARCH CORPORATION (US) 2013-04-18 US disclosed
US-7829720-B2 Process for preparing atazanavir bisulfate and novel forms BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20100183716-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR Bristo-Meyers Squibb Company 2010-07-22 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-20100178340-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY 2010-07-15 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20090203630-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090012303-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES AEROJET FINE CHEMICALS LLC (US) 2009-01-08 US disclosed
US-7309803-B2 Clean, High-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC (US) 2007-12-18 US disclosed
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 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 (15 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 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885
US-20130203759-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED pH EFFECT ACIN1, SAMHD1, ARSA SIGMAR1 3042/4885TAAR1 4344/4885SLC6A2 1049/4885
US-20180071270-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885
US-20100183716-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885
US-20090012303-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES SRMS, HCK, BHMT2 SIGMAR1 1912/4885TAAR1 2357/4885SLC6A2 3986/4885
US-20130266648-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885
US-20100178339-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885
US-20150320731-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885
US-20090203630-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS GTF3C3, PRSS3, GTF3C4 SIGMAR1 2092/4885TAAR1 3122/4885SLC6A2 3123/4885
US-20130096317-A1 REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS POF1B, PHF2, ADH1C SIGMAR1 3352/4885TAAR1 334/4885SLC6A2 4080/4885
US-20100178340-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885
US-20130116457-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES SRMS, HCK, BHMT2 SIGMAR1 1912/4885TAAR1 2357/4885SLC6A2 3986/4885
US-20150080399-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED pH EFFECT ACIN1, SAMHD1, ARSA SIGMAR1 3042/4885TAAR1 4344/4885SLC6A2 1049/4885
US-20180021436-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT ACIN1, SAMHD1, ARSA SIGMAR1 3042/4885TAAR1 4344/4885SLC6A2 1049/4885
US-20150202191-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 SIGMAR1 2769/4885TAAR1 4223/4885SLC6A2 2812/4885

“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.