SCHEMBL856099

SCHEMBL856099

CC(C)(CCN)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
APLNR P35414 1/20 0.36
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSK P43235 3/20 0.34
CYP2D6 P10635 1/20 0.34
LATS1 O95835 1/20 0.33

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
Hydrochloric Acid SCHEMBL20659338 0.98 TDP1 (0.38) TDP1CA1CA2CA7MAOA
SCHEMBL21261831 0.89 TDP1 (0.42) TDP1CA1CA2CA7MAOA
SCHEMBL3615746 0.86 APLNR (0.39) TDP1CA1CA2CA7MAOA
SCHEMBL1437011 0.85 TDP1 (0.40) TDP1CA1CA2CA7MAOA
SCHEMBL19967421 0.84 CA1 (0.33) TDP1CA1CA2CA7MAOA
Hydrochloric Acid SCHEMBL28622640 0.83 TDP1 (0.39) TDP1CA1CA2CA7MAOA
SCHEMBL1359163 0.83 TDP1 (0.47) TDP1CA1CA2CA7MAOA
SCHEMBL11966911 0.83 ALDH1A1 (0.52) TDP1CA1CA2CA7MEN1
SCHEMBL2942997 0.82 TDP1 (0.38) TDP1CA1CA2CA7MAOA
SCHEMBL26103826 0.82 TDP1 (0.42) TDP1CA1CA2CA7MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109732-A1 LIPID AMINES MODERNATX INC (US) 2026-04-23 US disclosed
US-20250235531-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2025-07-24 US disclosed
EP-4475882-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS ModernaTX, Inc. (US) 2024-12-18 EP disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-4423107-A1 LIPID AMINES ModernaTX, Inc. (US) 2024-09-04 EP disclosed
CN-116768885-A N 2 -substituted bicyclo-2-aminopyrimidine derivative, preparation method and medical application thereof 浙江大学 2023-09-19 CN disclosed
US-20230190751-A1 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors NOVARTIS INSTITUTE FOR FUNTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2023-06-22 US disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
CN-115996929-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2023-04-21 CN disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 EP disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
WO-2007048842-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (8 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 TDP1 1405/4885CA1 1998/4885CA2 1043/4885
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA TDP1 4064/4885CA1 1348/4885CA2 428/4885
US-20250235531-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MUC1, RNMT, FABP2 TDP1 3192/4885CA1 4350/4885CA2 4557/4885
US-20230190751-A1 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors LATS1, LATS2, LSS TDP1 2618/4885CA1 3631/4885CA2 1005/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 TDP1 4160/4885CA1 4244/4885CA2 2032/4885
US-20260109732-A1 LIPID AMINES LDLR, NPC1, PHOSPHO1 TDP1 3880/4885CA1 1889/4885CA2 3992/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B TDP1 2029/4885CA1 4286/4885CA2 2275/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TDP1 4286/4885CA1 3825/4885CA2 3956/4885

“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.