SCHEMBL1763751

SCHEMBL1763751

CC[Sn]C(=O)Oc1ccn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
JMJD6 Q6NYC1 1/20 0.34
NAMPT P43490 1/20 0.33
CYP4A11 Q02928 14/20 0.32
CYP4F2 P78329 13/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL28111228 0.77 PKM (0.43) PKMHCAR2JMJD6NAMPTCYP1A2
SCHEMBL8719841 0.75 PKM (0.48) PKMHCAR2JMJD6NAMPTCYP4A11
SCHEMBL27439148 0.74
SCHEMBL2363165 0.72
Methylamine SCHEMBL27628958 0.72 HCAR2 (0.39) PKMHCAR2CYP3A4NPC1RAB9A
SCHEMBL15716188 0.71
SCHEMBL10801840 0.69 NPC1 (0.51) PKMHCAR2NPC1RAB9A
SCHEMBL28317948 0.67 HCAR2 (0.38) PKMHCAR2NPC1RAB9A
SCHEMBL30157831 0.64 SMN1; SMN2 (0.50) NAMPTCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL22864022 0.63

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-03-26 US disclosed
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-05-15 US disclosed
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2013-10-31 US disclosed
US-20130030005-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-31 US disclosed
US-20120238583-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
EP-1549313-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-07-06 EP disclosed
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2005-04-28 US disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 PKM 3103/4885HCAR2 197/4885JMJD6 712/4885
US-20130030005-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP PKM 2728/4885HCAR2 817/4885JMJD6 1014/4885
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 PKM 3369/4885HCAR2 661/4885JMJD6 1488/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 PKM 3444/4885HCAR2 628/4885JMJD6 541/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 PKM 3369/4885HCAR2 661/4885JMJD6 1488/4885
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP PKM 2728/4885HCAR2 817/4885JMJD6 1014/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP PKM 2728/4885HCAR2 817/4885JMJD6 1014/4885
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP PKM 2728/4885HCAR2 817/4885JMJD6 1014/4885
US-20120238583-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP PKM 2728/4885HCAR2 817/4885JMJD6 1014/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 PKM 3103/4885HCAR2 197/4885JMJD6 712/4885
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 PKM 3369/4885HCAR2 661/4885JMJD6 1488/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 PKM 3369/4885HCAR2 661/4885JMJD6 1488/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 PKM 3444/4885HCAR2 628/4885JMJD6 541/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP PKM 3310/4885HCAR2 1231/4885JMJD6 571/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 PKM 2566/4885HCAR2 537/4885JMJD6 1697/4885

“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.