SCHEMBL540505

SCHEMBL540505

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)C1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.82
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
CTSK P43235 2/20 0.47
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD11B1 P28845 2/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 3/20 0.42
DRD2 P14416 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL182101 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL895759 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL13253521 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL2564638 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL1662045 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL1299320 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL25648917 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL7486096 1.00 BTK (0.82) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL262171 0.91 BTK (0.69) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL30915791 0.91 BTK (0.69) BTKKDM1AMAOBCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4725560-A2 ANTI-B7H3 ANTIBODIES FOR THE PREPARATION OF ANTIBODY DRUG CONJUGATES (ADCS) OF KSP INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2026-04-15 EP disclosed
US-20260078131-A1 PYRROLO-PYRIDAZINE INHIBITORS OF JAK2 AJAX THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 US disclosed
EP-4622996-A1 CONTROL OF NANOCAGE SELF-ASSEMBLY King's College London (GB) 2025-10-01 EP disclosed
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2025-05-22 US disclosed
CN-119751461-A PKMYT1 inhibitor and preparation method and application thereof 中国药科大学 2025-04-04 CN disclosed
WO-2025064788-A2 CCR5 CONJUGATES AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2025-03-27 WO disclosed
US-20250099600-A1 Active Metabolites of Kinesin Spindle Protein Inhibitor Conjugates BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-03-27 US disclosed
EP-4522596-A1 DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS C4X Discovery Limited (GB) 2025-03-19 EP disclosed
CN-119497712-A Indane derivatives as MALT1 inhibitors 希四克斯探索有限公司 2025-02-21 CN disclosed
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US 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 (12 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-20260078131-A1 PYRROLO-PYRIDAZINE INHIBITORS OF JAK2 JAK2, JAK1, JAK3 BTK 38/4885KDM1A 1807/4885MAOB 1006/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 BTK 2786/4885KDM1A 973/4885MAOB 156/4885
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 BTK 3266/4885KDM1A 1846/4885MAOB 110/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B BTK 1371/4885KDM1A 769/4885MAOB 750/4885
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB1, ADRB2, ADRA2B BTK 2666/4885KDM1A 2090/4885MAOB 176/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B BTK 1888/4885KDM1A 627/4885MAOB 306/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R BTK 2629/4885KDM1A 1954/4885MAOB 232/4885
US-20250099600-A1 Active Metabolites of Kinesin Spindle Protein Inhibitor Conjugates KIF18B, KIF18A, KIF5B BTK 4292/4885KDM1A 2272/4885MAOB 4008/4885
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRA2B, ADRB2, ADRB1 BTK 2928/4885KDM1A 2850/4885MAOB 138/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 BTK 4847/4885KDM1A 4391/4885MAOB 1958/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 BTK 2867/4885KDM1A 29/4885MAOB 4102/4885
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation ADRA2C, ADRB2, AHR BTK 2534/4885KDM1A 293/4885MAOB 414/4885

“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.