SCHEMBL23210360

SCHEMBL23210360

COC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
EPHX1 P07099 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
POLB P06746 1/20 0.44
PREP P48147 2/20 0.44
RECQL P46063 1/20 0.43
PDE4B Q07343 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
STS P08842 1/20 0.42
HSD11B1 P28845 1/20 0.41
GLS O94925 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL641372 0.95 ALDH1A1 (0.61) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL641371 0.95 ALDH1A1 (0.61) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL9882415 0.95 ALDH1A1 (0.61) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL22570055 0.92 HPGD (0.59) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL1968331 0.89 HPGD (0.59) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL1119307 0.89 HPGD (0.59) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL1973022 0.89 HPGD (0.59) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL28577368 0.86 HPGD (0.53) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL28574240 0.86 HPGD (0.53) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL28574242 0.86 HPGD (0.53) HPGDALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2021-04-15 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 (2 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-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 HPGD 2094/4885ALDH1A1 815/4885MEN1 3699/4885
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 HPGD 2094/4885ALDH1A1 815/4885MEN1 3699/4885

“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.