SCHEMBL5451145

SCHEMBL5451145

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 1/20 0.54
CTSK P43235 4/20 0.54
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
CTSD P07339 1/20 0.47
CTSS P25774 1/20 0.47
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.44
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PREP P48147 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL5441244 1.00 SMN1; SMN2 (0.54) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL6164797 1.00 SMN1; SMN2 (0.54) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL23050302 0.87 CTSK (0.53) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL23590380 0.87 CTSK (0.51) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL15947741 0.85 CTSK (0.50) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL13287349 0.85 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL23845173 0.85 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5416784 0.85 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5435526 0.84 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5451133 0.84 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
EP-1633349-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 US disclosed
WO-2004098590-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 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 (3 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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 SMN1; SMN2 3553/4885USP2 4620/4885CTSK 967/4885
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 SMN1; SMN2 3773/4885USP2 4323/4885CTSK 890/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 SMN1; SMN2 4234/4885USP2 2275/4885CTSK 2163/4885

“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.