SCHEMBL1763575

SCHEMBL1763575

C[C@@H]1CNCCN1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
ACHE P22303 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
DPP4 P27487 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMO Q99835 2/20 0.43

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
SCHEMBL1090152 1.00 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL1090149 1.00 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL3710664 0.98 SIGMAR1 (0.53) SIGMAR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL1763147 0.98 SIGMAR1 (0.53) SIGMAR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL1763150 0.98 SIGMAR1 (0.53) SIGMAR1CA1CA2CA4CA9
Trifluoroacetic Acid SCHEMBL1763151 0.92 SIGMAR1 (0.47) SIGMAR1CA1CA2CA4CA9
Trifluoroacetic Acid SCHEMBL1763153 0.92 SIGMAR1 (0.47) SIGMAR1CA1CA2CA4CA9
SCHEMBL5317493 0.91 GHSR (0.50) SIGMAR1CA1CA2CA4CA9
SCHEMBL5265069 0.91 GHSR (0.50) SIGMAR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL5316525 0.90 GHSR (0.49) SIGMAR1CA1CA2CA4CA9

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 76 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 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-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-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-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 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-20040023982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-02-05 US disclosed
US-20040009985-A1 Bicyclo 4.4.0 antiviral derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-01-15 US disclosed
WO-2003092695-A1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-13 WO disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 US disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 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 (11 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 SIGMAR1 1447/4885CA1 4825/4885CA2 4845/4885
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 SIGMAR1 969/4885CA1 2750/4885CA2 2054/4885
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 SIGMAR1 1181/4885CA1 4106/4885CA2 3446/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 SIGMAR1 844/4885CA1 4453/4885CA2 3426/4885
US-20040009985-A1 Bicyclo 4.4.0 antiviral derivatives CCR5, ITPA, IL4 SIGMAR1 892/4885CA1 4733/4885CA2 3832/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 SIGMAR1 969/4885CA1 2750/4885CA2 2054/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 SIGMAR1 844/4885CA1 4453/4885CA2 3426/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP SIGMAR1 2229/4885CA1 2411/4885CA2 1752/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 SIGMAR1 1488/4885CA1 4795/4885CA2 4825/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 SIGMAR1 1646/4885CA1 4785/4885CA2 4344/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 SIGMAR1 1447/4885CA1 4825/4885CA2 4845/4885

“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.