SCHEMBL9449653

SCHEMBL9449653

CC1CN(CCCCl)CC(C)O1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
EBP Q15125 1/20 0.62
KDM4E B2RXH2 9/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 6/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL16322104 1.00 SIGMAR1 (0.62) SIGMAR1EBPKDM4ELMNAALDH1A1
SCHEMBL10582736 0.98 SIGMAR1 (0.60) SIGMAR1EBPKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL9449875 0.92 SIGMAR1 (0.63) SIGMAR1EBPKDM4ELMNAALDH1A1
SCHEMBL9449755 0.92 SIGMAR1 (0.69) SIGMAR1EBPKDM4ELMNAALDH1A1
SCHEMBL15210850 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4ELMNAALDH1A1
SCHEMBL9449643 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL2959127 0.84 SIGMAR1 (0.53) SIGMAR1EBPKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL5369449 0.84 SIGMAR1 (0.53) SIGMAR1EBPKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL11412105 0.82 SIGMAR1 (0.67) SIGMAR1EBPKDM4ELMNAALDH1A1
SCHEMBL8283672 0.80 SIGMAR1 (0.84) SIGMAR1EBPKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273143-B1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF DALIAN WZ PROBIOTICS AD HEALTH CO LTD (CN) 2025-05-21 EP disclosed
US-20240140941-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF DALIAN WZ PROBIOTICS AD HEALTH CO., LTD (CN) 2024-05-02 US disclosed
EP-4273143-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Dalian WZ Probiotics AD Health Co., Ltd (CN) 2023-11-08 EP disclosed
CN-114685456-B 2, 5-diketopiperazine compound derivative, preparation method thereof, pharmaceutical composition and application thereof 大连万众益生大健康有限公司 2023-10-10 CN disclosed
WO-2022144002-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 大连万众益生大健康有限公司 2022-07-07 WO disclosed
CN-114685456-A 2, 5-diketopiperazine compound derivative, preparation method thereof, pharmaceutical composition and application thereof 大连万众益生大健康有限公司 2022-07-01 CN disclosed
EP-2817301-A1 USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2014-12-31 EP disclosed
WO-2013124169-A1 USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-29 WO disclosed
US-5240925-A FUNGICIDAL 2-ARYL-2-CYANO-2-(HETEROCYCLYLALKYL)ETHYL-1,2,4-TRIAZOLES ROHM AND HAAS COMPANY (US) 1993-08-31 US disclosed
EP-0529973-A1 Fungicidal 2-aryl-2-cyano-2-(heterocyclylalkyl)ethyl-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-03-03 EP disclosed
EP-0313353-B1 MORPHOLINYL SILANES AND USE FOR CONTROL OF PLANT DISEASES CAUSED BY FUNGI DOWELANCO (US) 1992-06-17 EP disclosed
US-4927812-A FUNGICIDES ATOCHEM NORTH AMERICA, INC. (US) 1990-05-22 US disclosed
WO-1989003640-A1 MORPHOLINYL SILANES AND USE FOR CONTROL OF PLANT DISEASES CAUSED BY FUNGI THE DOW CHEMICAL COMPANY (US) 1989-05-05 WO disclosed
EP-0313353-A1 Morpholinyl silanes and use for control of plant diseases caused by fungi DOWELANCO (US) 1989-04-26 EP disclosed
US-4758564-A Ether and thioether amines and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0193065-A1 Morpholine derivatives, processes for their production and their use as fungicides BASF Aktiengesellschaft (DE) 1986-09-03 EP 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 (1 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-20240140941-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF WEE1, WEE2, CYP51A1 SIGMAR1 2657/4885EBP 3050/4885KDM4E 3200/4885

“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.