SCHEMBL2629360

SCHEMBL2629360

CC(=O)NCCc1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 1.00
MTNR1B P49286 5/20 1.00
HTT P42858 1/20 0.56
IDO1 P14902 3/20 0.55
MAPT P10636 1/20 0.53
MAOB P27338 1/20 0.53
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL2730542 0.86 MTNR1A (0.76) MTNR1AMTNR1BIDO1MAPTMAOB
SCHEMBL12200241 0.85 MTNR1A (0.74) MTNR1AMTNR1BIDO1MAPTMAOB
SCHEMBL13415981 0.84 MTNR1A (0.73) MTNR1AMTNR1BIDO1MAPT
SCHEMBL6290083 0.84 MTNR1A (0.72) MTNR1AMTNR1BIDO1MAPTMAOB
SCHEMBL9213284 0.84 MTNR1A (0.72) MTNR1AMTNR1BIDO1MAPTMAOB
SCHEMBL6290080 0.84 MTNR1A (0.72) MTNR1AMTNR1BIDO1MAPTMAOB
SCHEMBL31543680 0.82 MTNR1A (0.70) MTNR1AMTNR1BHTTIDO1MAPT
SCHEMBL28852764 0.82 MTNR1A (0.70) MTNR1AMTNR1BIDO1MAPTMAOB
SCHEMBL5777826 0.81 MTNR1A (0.68) MTNR1AMTNR1BHTTMAPTMEN1
SCHEMBL9679749 0.80 MTNR1A (0.67) MTNR1AMTNR1BIDO1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 MTNR1A 3935/4885MTNR1B 3912/4885HTT 4106/4885
US-20130030005-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MTNR1A 4349/4885MTNR1B 3992/4885HTT 4008/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MTNR1A 4574/4885MTNR1B 4467/4885HTT 3152/4885
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885
US-20120238583-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 MTNR1A 3935/4885MTNR1B 3912/4885HTT 4106/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MTNR1A 4574/4885MTNR1B 4467/4885HTT 3152/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MTNR1A 4349/4885MTNR1B 3992/4885HTT 4008/4885
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MTNR1A 4177/4885MTNR1B 4128/4885HTT 3234/4885

“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.