SCHEMBL2629293

SCHEMBL2629293

CCCCCc1ccn(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
CYP19A1 P11511 7/20 0.45
EPHX2 P34913 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDM5A P29375 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
MIF P14174 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HSD11B1 P28845 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL19578802 0.98 KCNH2 (0.50) KCNH2CYP19A1EPHX2CNR1CNR2
SCHEMBL28221869 0.98 KCNH2 (0.50) KCNH2CYP19A1EPHX2CNR1CNR2
Bromide SCHEMBL28491346 0.96 KCNH2 (0.48) KCNH2CYP19A1EPHX2CNR1CNR2
SCHEMBL293826 0.94 CYP19A1 (0.46) KCNH2CYP19A1EPHX2CNR1CNR2
Cyclohexane SCHEMBL27686779 0.89 CYP19A1 (0.42) KCNH2CYP19A1EPHX2KDM5AKDM4C
SCHEMBL294282 0.85
SCHEMBL293184 0.82 EPHX2 (0.41) KCNH2CYP19A1EPHX2DDB1CRBN
SCHEMBL2927999 0.81 CYP19A1 (0.38) KCNH2CYP19A1EPHX2CNR1CNR2
SCHEMBL511224 0.81 EPHX2 (0.41) KCNH2CYP19A1EPHX2DDB1CRBN
SCHEMBL27711036 0.81 KCNH2 (0.44) KCNH2CYP19A1CNR1CNR2KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021163727-A1 PIKFYVE KINASE INHIBITORS AcuraStem Incorporated (US) 2021-08-19 WO 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-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
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
EP-0553307-B1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO CO (US) 1998-12-09 EP disclosed
EP-0791571-A1 Benzoyl derivatives MONSANTO COMPANY (US) 1997-08-27 EP disclosed
US-5536700-A Herbicidal compositions comprising aryl-5-haloalkylpyrazoles and glyphosate, it's salts, diquat or paraquat MONSANTO COMPANY (US) 1996-07-16 US disclosed
US-5530126-A ALKYLATION IN INERT SOLVENT MONSANTO COMPANY (US) 1996-06-25 US disclosed
US-5496956-A BY ESTERIFICATION OF CARBOXY SUBSTITUTION WITH ALCOHOLS IN THE PRESENCE OF MINERAL ACID MONSANTO COMPANY (US) 1996-03-05 US disclosed
US-5489571-A CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS MONSANTO COMPANY (US) 1996-02-06 US disclosed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO 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 (7 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 KCNH2 3090/4885CYP19A1 1077/4885EPHX2 1093/4885
US-20130030005-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KCNH2 3939/4885CYP19A1 1668/4885EPHX2 1499/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KCNH2 1794/4885CYP19A1 1495/4885EPHX2 1268/4885
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KCNH2 3939/4885CYP19A1 1668/4885EPHX2 1499/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KCNH2 3939/4885CYP19A1 1668/4885EPHX2 1499/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 KCNH2 3090/4885CYP19A1 1077/4885EPHX2 1093/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KCNH2 1794/4885CYP19A1 1495/4885EPHX2 1268/4885

“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.