SCHEMBL25568175

SCHEMBL25568175

CN(C(=O)OCc1ccccc1)[C@H]1C[C@@H](N)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
TRPM8 Q7Z2W7 6/20 0.51
ALDH1A1 P00352 4/20 0.46
CCR5 P51681 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
RCOR1 Q9UKL0 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL31460798 0.87 SIGMAR1 (0.54) SIGMAR1TRPM8ALDH1A1CCR5MAPT
SCHEMBL25568169 0.87 SIGMAR1 (0.53) SIGMAR1TRPM8ALDH1A1CCR5MAPT
SCHEMBL2621297 0.87 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5MAPTHPGD
SCHEMBL2621386 0.87 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5MAPTHPGD
SCHEMBL129763 0.87 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5MAPTHPGD
SCHEMBL30865762 0.87 SIGMAR1 (0.53) SIGMAR1TRPM8ALDH1A1CCR5MAPT
SCHEMBL19139368 0.87 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5MAPTHPGD
SCHEMBL25568168 0.87 SIGMAR1 (0.53) SIGMAR1TRPM8ALDH1A1CCR5MAPT
SCHEMBL1058888 0.85 SIGMAR1 (0.60) SIGMAR1ALDH1A1CCR5MAPTHPGD
SCHEMBL129759 0.84 SIGMAR1 (0.51) SIGMAR1TRPM8ALDH1A1CCR5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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 (1 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM SIGMAR1 1994/4885TRPM8 544/4885ALDH1A1 4179/4885

“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.