SCHEMBL6076877

SCHEMBL6076877

CC(C)(C)OC(=O)NCCNCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
GRM2 Q14416 1/20 0.45
CHRM2 P08172 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.43
ATM Q13315 1/20 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
SCHEMBL3707469 0.92 CHRM2 (0.54) HPGDKDM4EGAAPOLBCTSS
SCHEMBL14610248 0.92 CA1 (0.51) HPGDKDM4EGAAPOLBCTSS
SCHEMBL185351 0.88 HPGD (0.55) HPGDGAACTSSCTSKCA1
SCHEMBL19300911 0.87 GRM2 (0.45) HPGDKDM4EGAAPOLBCTSS
SCHEMBL4709745 0.87 PDCD1 (0.52) HPGDGAACA1CA2PDCD1
SCHEMBL21066539 0.87 PDCD1 (0.49) GAACA1CA2PDCD1CD274
SCHEMBL1444314 0.86 HPGD (0.59) HPGDGAACTSSCTSKCA1
SCHEMBL17687214 0.86 PHGDH (0.46) GAACA1CA2PDCD1CD274
SCHEMBL12310009 0.86 CA1 (0.47) GAACA1CA2PDCD1CD274
SCHEMBL22452272 0.86 FPR3 (0.47) GAACTSSCTSKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260108521-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2026-04-23 US disclosed
EP-3845276-B1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THE SAME IND TECH RES INST (TW) 2025-01-29 EP disclosed
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 EP disclosed
US-11608319-B2 Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-03-21 US disclosed
US-20220363645-A1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND METHOD FOR PERFORMING AN IN VIVO RELATED APPLICATION THAT BENEFITS FROM THE INHIBITION OF A KINASE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2022-11-17 US disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 EP disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 EP disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 US disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 US disclosed
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 HPGD 1457/4885KDM4E 3422/4885GAA 2890/4885
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRK4, NCOA4, GRK3 HPGD 3322/4885KDM4E 1187/4885GAA 3877/4885
US-20260108521-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME GHSR, GSPT1, GLRA1 HPGD 1084/4885KDM4E 4558/4885GAA 1275/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 HPGD 2160/4885KDM4E 3300/4885GAA 3225/4885
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same GRK4, NCOA4, GRK3 HPGD 3322/4885KDM4E 1187/4885GAA 3877/4885
US-11608319-B2 Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase CSNK1A1, CSNK1D, CSNK1G3 HPGD 3095/4885KDM4E 2547/4885GAA 3115/4885
US-20220363645-A1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND METHOD FOR PERFORMING AN IN VIVO RELATED APPLICATION THAT BENEFITS FROM THE INHIBITION OF A KINASE CSNK1A1, CSNK1D, CSNK1G3 HPGD 3095/4885KDM4E 2547/4885GAA 3115/4885

“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.