SCHEMBL5499043

SCHEMBL5499043

O=C(O)CCC1CCNC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.64
GABRA5 P31644 2/20 0.64
GABRB2 P47870 2/20 0.64
SLC6A12 P48065 2/20 0.64
SLC6A11 P48066 2/20 0.64
SLC6A13 Q9NSD5 2/20 0.64
GABRA1 P14867 1/20 0.64
GABRR1 P24046 1/20 0.64
GABRA4 P48169 1/20 0.64
KMT2A Q03164 1/20 0.49
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
F2R P25116 4/20 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
SCHEMBL29207730 1.00 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL31370174 1.00 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL25181844 0.98 SLC6A1 (0.62) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13308547 0.88 KMT2A (0.62) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13308548 0.88 KMT2A (0.62) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5494841 0.88 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2525645 0.88 KMT2A (0.62) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL954535 0.87 ITGB3 (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL8182632 0.86 KMT2A (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5313695 0.86 KMT2A (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103118540-B Pesticide containing 2, 5-diketopiperazine derivative as active ingredient Rural Development Office (KR) 2016-02-17 CN claimed
CN-103118540-A Pesticide containing 2, 5-diketopiperazine derivative as active ingredient REPUBLIC KOREA MAN RURAL DEV 2013-05-22 CN claimed
US-12570662-B2 Substituted pyrrolo[1,2-b]pyridazines as bifunctional degraders of interleukin-1 receptor-associated kinases NURIX THERAPEUTICS, INC. (US) 2026-03-10 US disclosed
EP-4512402-A2 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF Nurix Therapeutics, Inc. (US) 2025-02-26 EP disclosed
EP-4367118-B1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF NURIX THERAPEUTICS INC (US) 2025-01-29 EP disclosed
US-20240417402-A1 SUBSTITUTED PYRROLO[1,2-b]PYRIDAZINES AS BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES GILEAD SCIENCES, INC. 2024-12-19 US disclosed
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2024-08-22 US disclosed
EP-4367118-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF Nurix Therapeutics, Inc. (US) 2024-05-15 EP disclosed
US-11976071-B2 Substituted pyrrolo[1,2-b]pyridazines as bifunctional degraders of interleukin-1 receptor-associated kinases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-117813307-A Difunctional degradants of interleukin-1 receptor related kinase and therapeutic uses thereof 新锐思生物制药股份有限公司 2024-04-02 CN disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
CN-103118540-B Pesticide containing 2, 5-diketopiperazine derivative as active ingredient Rural Development Office (KR) 2016-02-17 CN disclosed
CN-103118540-A Pesticide containing 2, 5-diketopiperazine derivative as active ingredient REPUBLIC KOREA MAN RURAL DEV 2013-05-22 CN disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 WO disclosed
EP-1129070-A4 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-03-02 EP disclosed
EP-1129070-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-05 EP disclosed
US-6228872-B1 PEPTIDE-PROLYL ISOMERASE AND ROTAMASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2001-05-08 US disclosed
WO-2000027811-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-18 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 (5 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-12570662-B2 Substituted pyrrolo[1,2-b]pyridazines as bifunctional degraders of interleukin-1 receptor-associated kinases IRAK1, IRAK2, IRAK4 SLC6A1 4401/4885GABRA5 2737/4885GABRB2 2473/4885
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE ITK, NFATC1, TNIK SLC6A1 4732/4885GABRA5 4199/4885GABRB2 2531/4885
US-20240417402-A1 SUBSTITUTED PYRROLO[1,2-b]PYRIDAZINES AS BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES IRAK1, IRAK2, IRAK4 SLC6A1 4787/4885GABRA5 2108/4885GABRB2 2224/4885
US-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY SLC6A1 3877/4885GABRA5 2173/4885GABRB2 2186/4885
US-11976071-B2 Substituted pyrrolo[1,2-b]pyridazines as bifunctional degraders of interleukin-1 receptor-associated kinases IRAK1, IRAK2, IRAK4 SLC6A1 4583/4885GABRA5 1276/4885GABRB2 1582/4885

“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.