SCHEMBL838138

SCHEMBL838138

CC(C)(C)N(CCCCN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
KMT2A Q03164 3/20 0.37
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PLG P00747 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PAOX Q6QHF9 3/20 0.35
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL27220640 0.98 CHRM2 (0.41) CHRM2CYP2D6NFKB1KMT2ABLM
SCHEMBL2174381 0.98 CHRM2 (0.41) CHRM2CYP2D6NFKB1KMT2ABLM
Ammonia Solution, Strong SCHEMBL22716834 0.98 CHRM2 (0.37) CHRM2CYP2D6NFKB1KMT2ABLM
SCHEMBL2125590 0.98 CHRM2 (0.41) CHRM2CYP2D6NFKB1KMT2ABLM
SCHEMBL146038 0.98 CHRM2 (0.41) CHRM2CYP2D6NFKB1KMT2ABLM
SCHEMBL2121005 0.98 CHRM2 (0.41) CHRM2CYP2D6NFKB1KMT2ABLM
Hydrochloric Acid SCHEMBL6157108 0.96 CHRM2 (0.40) CHRM2CYP2D6NFKB1KMT2ABLM
SCHEMBL838329 0.94 KMT2A (0.36) CYP2D6NFKB1KMT2ABLMNPSR1
SCHEMBL5452674 0.85 CHRM2 (0.42) CHRM2KMT2ABLMNPSR1LMNA
SCHEMBL246225 0.85 MEN1 (0.34) KMT2ALMNAMEN1ALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025082069-A1 COMPOUND BINDING TO CRBN PROTEIN AND DEGRADATION AGENT OF PROTEIN 中国海洋大学 2025-04-24 WO disclosed
CN-119841843-A Compound combined with CRBN protein and degradation agent of CRBN protein 中国海洋大学 2025-04-18 CN disclosed
WO-2025036132-A1 COMPOUND AND USE THEREOF 中国海洋大学 2025-02-20 WO disclosed
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION PRAZER THERAPEUTICS INC. (KR) 2024-12-26 US disclosed
EP-4450490-A1 NOVEL COMPOUND FOR DEGRADING TARGET PROTEIN OR POLYPEPTIDE BY USING POLYUBIQUITINATION Prazer Therapeutics Inc. (KR) 2024-10-23 EP disclosed
US-20240317711-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA INC. (KR) 2024-09-26 US disclosed
WO-2022270987-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND (주) 업테라 2022-12-29 WO disclosed
US-11141368-B2 Cosmetic composition, cosmetic treatment method, kit, and compound L'OREAL (FR) 2021-10-12 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-10813866-B2 Cosmetic composition, cosmetic treatment method, kit, and compound L'OREAL (FR) 2020-10-27 US disclosed
WO-2011112441-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. (US) 2011-09-15 WO disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
EP-2040699-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 Vanderbilt University Medical Center (US) 2009-04-01 EP disclosed
US-20080171740-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 US disclosed
WO-2007149456-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2007-12-27 WO disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 US disclosed
EP-1457483-A1 Cationic lipids with serine backbone Ruhr-Universität Bochum (DE) 2004-09-15 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 (9 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-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 CHRM2 2974/4885CYP2D6 4618/4885NFKB1 167/4885
US-20080171740-A1 Chemical Compounds CXCR4, CCR5, CXCR3 CHRM2 3518/4885CYP2D6 4282/4885NFKB1 223/4885
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION ADRM1, SUMO1, SUMO2 CHRM2 4140/4885CYP2D6 4094/4885NFKB1 860/4885
US-10813866-B2 Cosmetic composition, cosmetic treatment method, kit, and compound KRT18, KIT, TYR CHRM2 1528/4885CYP2D6 2413/4885NFKB1 2700/4885
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 CHRM2 2656/4885CYP2D6 3121/4885NFKB1 998/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 CHRM2 2612/4885CYP2D6 1020/4885NFKB1 409/4885
US-20240317711-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND STUB1, AURKA, XIAP CHRM2 4289/4885CYP2D6 4182/4885NFKB1 540/4885
US-11141368-B2 Cosmetic composition, cosmetic treatment method, kit, and compound KRT18, KIT, TYR CHRM2 1528/4885CYP2D6 2413/4885NFKB1 2700/4885
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 CHRM2 758/4885CYP2D6 1226/4885NFKB1 978/4885

“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.